data_2dmc_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 2dmc _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 ' 26' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 104' ' ' VAL . 25.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.12 159.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -90.48 106.08 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.92 134.07 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 16.25 66.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -148.95 127.93 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 111.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.98 135.34 54.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.26 151.29 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 98.6 m-85 -131.25 123.43 28.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' HD12 ' A' ' 66' ' ' LEU . 4.5 tp -92.43 108.0 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -120.36 140.2 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.55 98.19 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -122.84 139.01 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.478 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 42.3 m -83.53 37.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' CD ' ' C ' ' A' ' 40' ' ' SER . 8.8 mp0 -131.18 118.17 20.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 m -87.63 -61.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -38.49 122.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 65' ' ' ARG . 1.7 mt -87.93 -62.68 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -52.7 -46.02 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -53.44 -17.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.4 mt -101.75 162.89 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -113.24 153.62 28.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.23 116.77 21.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -149.0 141.5 24.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.458 HD12 ' CG ' ' A' ' 75' ' ' PHE . 14.8 mt -141.9 149.07 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.0 tptt -145.22 106.37 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.64 169.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 83' ' ' HIS . 53.3 Cg_endo -69.77 -19.83 35.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m -94.58 5.04 53.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 82.86 25.13 50.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -102.64 110.32 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.44 148.82 22.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -133.88 143.97 49.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 106.6 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 75' ' ' PHE . 26.8 p -110.7 144.52 39.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.64 122.15 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 mt -89.14 133.56 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 74' ' ' SER . 5.3 ptpt -137.67 161.48 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.11 118.05 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD12 ' CD1' ' A' ' 36' ' ' LEU . 85.2 mt -89.46 153.77 48.39 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.8 30.36 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 59.38 52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -136.99 160.89 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 72' ' ' GLY . 29.6 mt -144.92 134.0 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 71' ' ' ILE . . . -145.01 167.34 27.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 tt -99.65 156.27 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.458 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t -136.26 110.26 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.7 p90 -136.25 163.3 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.1 mt -104.39 93.22 5.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.2 Cg_endo -69.82 129.57 17.75 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -99.26 -34.81 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 8.3 tp10 -106.99 154.68 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 30.7 m -105.59 140.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.31 -140.56 9.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.564 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -100.21 104.25 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 6.9 m80 -94.66 144.76 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.44 117.25 29.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.8 t -97.91 119.62 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.55 103.94 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.67 113.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -131.12 171.18 13.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -124.45 106.6 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.99 29.55 19.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.09 18.49 39.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' HIS . 37.5 m-80 -130.76 102.59 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.8 m-70 -37.97 141.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.7 m -103.77 178.7 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.32 54.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 68.77 25.73 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 19.6 t -126.73 145.06 52.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.673 0.749 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.4 Cg_endo -69.78 144.37 76.49 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.338 -0.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.23 126.6 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.3 p -88.88 135.57 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 102' ' ' MET . 42.4 mt -137.85 142.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.43 ' N ' HG23 ' A' ' 101' ' ' ILE . 7.5 tpt -101.78 123.72 46.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.59 128.01 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 26' ' ' GLN . 25.9 m -137.11 145.2 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.2 149.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -89.84 103.06 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 78' ' ' ARG . 12.5 tp -60.19 140.04 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.99 19.99 79.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -148.12 137.7 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 111.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.6 136.97 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.93 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.7 125.22 28.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tp -92.57 111.63 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -121.33 129.98 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.1 t70 -78.19 99.76 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 pt -131.14 138.24 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 67.8 p -85.82 29.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 3.3 mp0 -120.45 115.99 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -115.04 38.83 3.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LEU . 13.3 m-20 -127.13 72.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' ASP . 4.6 mp -36.67 -69.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -42.1 -64.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.4 m -47.13 -29.55 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 mt -95.93 156.9 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -118.25 155.54 30.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.55 122.1 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -145.4 142.0 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.3 mt -143.46 128.21 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -128.09 103.75 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.33 168.45 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.736 . . . . 0.0 111.042 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.0 Cg_endo -69.68 -18.34 37.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -96.07 5.63 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.46 53.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -101.66 118.54 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.78 150.88 48.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -130.15 141.86 43.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.704 0.764 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 91.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 p -96.43 137.48 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.09 117.42 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.81 133.16 38.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -143.53 155.9 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -82.85 136.84 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.0 mt -106.25 155.49 38.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.726 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.44 21.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 66.43 30.8 8.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.8 50.02 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -134.43 166.57 22.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 72' ' ' GLY . 55.0 mt -143.95 153.05 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -160.1 175.61 36.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.439 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.4 tt -109.72 146.22 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -126.68 118.76 25.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.3 p90 -151.28 158.52 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.4 mt -102.42 97.6 9.13 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 123.07 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.95 -28.24 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -121.62 170.32 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.67 143.12 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.7 -144.65 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -100.58 99.31 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -92.13 143.47 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.5 mt -114.38 114.3 25.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.3 t -93.19 112.62 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 110.09 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mm -120.76 115.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 25.9 mttt -133.86 172.26 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -128.92 109.67 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' ND2' ' N ' ' A' ' 90' ' ' ASN . 1.4 m120 61.3 27.13 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.42 16.56 45.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' HIS . 44.7 m-80 -130.83 103.55 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-70 -36.39 143.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.0 m -104.28 -176.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.93 147.12 49.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 38' ' ' ASP . 76.7 m-20 62.08 29.85 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 38.1 t -131.66 143.33 48.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.78 150.85 90.87 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.304 0.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.86 118.25 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -82.68 124.67 30.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 102' ' ' MET . 77.3 mt -126.84 139.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 101' ' ' ILE . 5.4 tpt -104.99 117.4 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.62 135.53 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.24 161.04 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.885 0.374 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.23 148.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -83.18 104.01 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 79' ' ' GLU . 12.0 tp -58.63 121.38 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.87 47.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 m -144.75 121.29 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.42 115.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.54 135.45 55.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.95 154.1 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CE2' HG21 ' A' ' 101' ' ' ILE . 57.8 m-85 -137.83 122.74 18.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.47 116.54 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -125.01 145.0 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.14 96.7 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.82 126.09 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -63.13 -10.57 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -104.29 125.47 50.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 p -89.34 -61.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.8 106.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 64' ' ' LYS . 2.5 mp -73.31 -47.62 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.4 m -43.98 -59.38 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -53.7 -22.98 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.68 161.78 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -109.36 157.73 18.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -133.96 123.24 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -148.5 139.44 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 52' ' ' LYS . 57.3 mt -145.43 138.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.457 ' N ' HG21 ' A' ' 51' ' ' ILE . 2.7 ttpm? -147.97 121.99 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -48.39 167.64 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.68 -15.38 37.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -87.78 -1.6 58.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.35 19.82 40.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -60.84 163.37 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 58' ' ' ASP . 10.9 mm-40 -141.3 141.07 22.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 93.11 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 28.5 p -105.55 147.78 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -143.8 122.31 12.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 44' ' ' LEU . 12.4 mt -79.97 127.19 31.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' C ' HD21 ' A' ' 44' ' ' LEU . 4.1 ptmt -144.0 176.88 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -93.42 143.48 26.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 72' ' ' GLY . 89.0 mt -97.22 152.43 38.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.569 0.7 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.298 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.3 m120 -74.89 59.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASN . 10.9 t-20 34.16 42.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 31.7 m-70 -143.78 -174.99 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 72' ' ' GLY . 35.0 mt -143.68 137.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' HG ' ' A' ' 66' ' ' LEU . . . -146.63 -175.22 19.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 7.4 tt -111.44 151.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.78 109.28 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -142.19 164.18 30.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 45.5 mt -110.7 105.87 57.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 55.0 Cg_endo -69.65 128.89 16.78 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.46 -7.59 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' N ' HD13 ' A' ' 29' ' ' LEU . 5.6 mm-40 -140.32 177.97 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 105' ' ' GLN . 18.0 m -125.25 140.66 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.26 -137.38 6.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -107.91 102.37 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -90.29 143.15 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.41 120.64 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 87' ' ' ILE . 17.8 t -99.67 125.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 m -90.52 107.28 19.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 85' ' ' VAL . 16.7 mm -118.42 109.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 11.9 mttt -130.16 172.43 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -125.21 106.08 9.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 61.42 28.82 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.8 15.64 45.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' HIS . 68.5 m-80 -129.35 101.46 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.443 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 25.5 m-70 -35.22 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.8 m -107.76 -176.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.74 146.81 51.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 62.31 30.15 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 37.3 t -132.48 142.23 44.15 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.704 0.764 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.83 161.04 87.19 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.621 -1.825 . . . . 0.0 112.402 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.3 138.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -102.62 110.72 22.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.493 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.6 mt -110.77 146.67 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.443 ' N ' HG22 ' A' ' 101' ' ' ILE . 6.5 tpt -110.55 117.19 32.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -108.8 140.87 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.7 144.91 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' HG11 ' A' ' 80' ' ' VAL . 31.3 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.29 153.24 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -92.67 137.43 32.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 HD11 ' CA ' ' A' ' 79' ' ' GLU . 8.1 tp -79.49 140.97 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.71 76.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -137.3 135.52 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 107.59 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.93 140.0 49.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.97 158.3 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 75' ' ' PHE . 94.1 m-85 -136.41 123.12 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -93.35 104.78 16.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -115.79 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -90.98 101.39 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 pt -128.23 137.11 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -84.24 34.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -130.17 118.81 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 43' ' ' ASP . 6.6 t -93.06 -44.46 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 42' ' ' THR . 8.2 t0 -51.72 113.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.97 -60.56 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -46.81 -50.54 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -52.8 -34.24 52.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.45 160.93 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -114.16 157.0 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.4 119.45 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -152.16 138.37 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -137.93 132.89 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -134.37 103.1 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.84 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.278 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -96.72 9.02 42.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.05 62.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.403 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -100.14 115.47 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 155.09 34.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -139.02 143.69 38.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 101.01 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -108.2 145.08 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.66 128.16 19.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.42 132.15 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -142.09 170.26 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -95.55 129.15 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 70.7 mt -100.02 153.85 37.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 176.68 6.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m120 61.24 28.36 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.8 47.95 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.409 ' C ' ' HB2' ' A' ' 66' ' ' LEU . 8.6 m-70 -133.28 167.49 20.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -144.04 144.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.14 164.82 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.2 tt -104.69 153.51 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 m -124.7 124.82 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 35' ' ' PHE . 12.8 p90 -159.28 161.25 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.6 mt -108.77 109.14 61.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.81 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.736 2.29 . . . . 0.0 112.319 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -89.73 -18.76 25.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' CA ' HD11 ' A' ' 29' ' ' LEU . 5.3 mp0 -132.36 164.14 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.7 m -108.95 138.85 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.0 -146.13 15.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -100.9 100.01 10.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -87.34 141.99 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.15 116.1 27.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 87' ' ' ILE . 9.6 t -94.72 112.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -79.0 110.17 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CD1' HG13 ' A' ' 85' ' ' VAL . 20.4 mm -121.21 117.48 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 12.5 mttt -135.54 171.15 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -122.56 109.69 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.809 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 55.88 28.41 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.16 17.83 33.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 70.9 m-80 -130.49 99.08 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.446 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 10.5 m-70 -35.55 141.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.0 m -101.34 -178.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.38 147.82 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 61.16 26.72 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 42.8 t -125.59 142.51 42.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 0.0 110.798 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.33 131.36 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -94.26 117.89 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 102' ' ' MET . 84.0 mt -121.25 145.01 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.4 ' N ' HG21 ' A' ' 101' ' ' ILE . 6.4 tpt -108.6 120.35 42.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.9 t -115.59 133.98 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.15 136.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.2 t -140.17 156.89 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.03 115.86 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.82 131.3 44.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.85 51.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.423 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -152.67 127.85 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 112.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.17 144.11 46.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.9 151.03 26.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 75' ' ' PHE . 90.8 m-85 -132.23 112.65 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -83.98 123.13 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.58 136.01 38.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -83.82 99.88 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 pt -133.19 136.07 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 m -81.71 44.28 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.67 132.0 51.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 22.6 p -109.73 -69.57 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 17.8 m-20 -35.37 123.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -88.16 -57.19 3.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 p -53.95 -48.0 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -54.46 -26.6 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 43' ' ' ASP . 23.7 mt -98.48 164.18 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.51 146.37 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.21 124.4 43.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -150.92 138.91 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mt -137.12 134.12 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -134.24 103.05 5.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -44.45 169.37 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.75 -17.08 37.83 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -98.94 10.81 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.59 20.15 74.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -94.85 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.06 148.26 52.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 75' ' ' PHE . 77.6 mt-10 -130.83 143.1 47.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 90.34 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.784 2.322 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.1 p -99.4 146.17 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.81 139.25 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.26 132.94 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -144.91 154.95 43.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -86.68 132.07 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.8 mt -100.03 153.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.99 22.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 69.7 25.78 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.54 50.36 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' HG13 ' A' ' 71' ' ' ILE . 8.0 m-70 -134.4 166.06 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 70' ' ' HIS . 55.1 mt -144.99 144.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.49 174.95 32.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.9 tt -109.84 148.3 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.37 120.67 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 9.2 p90 -154.44 152.48 30.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.2 mt -97.76 104.72 22.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.686 0.755 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.47 17.63 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -99.3 -26.55 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -129.94 167.82 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 105' ' ' GLN . 33.8 m -112.22 144.5 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.09 -141.44 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -103.03 100.61 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -89.97 142.53 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -116.29 114.8 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 87' ' ' ILE . 4.8 t -95.42 120.71 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -87.3 111.52 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 85' ' ' VAL . 19.9 mm -120.36 116.78 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -135.73 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -125.18 104.2 8.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 62.06 26.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.44 17.66 30.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 67.8 m-80 -130.97 101.09 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -35.64 147.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.84 -176.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 145.28 45.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 64.68 28.62 13.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 27.8 t -126.98 144.51 50.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.83 157.66 92.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.319 0.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -80.65 116.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.7 p -82.0 115.12 21.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.8 mt -120.44 141.75 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 tpt -109.96 119.72 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.6 137.21 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.3 143.37 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.465 ' N ' HG13 ' A' ' 80' ' ' VAL . 12.2 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.79 154.12 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.25 123.58 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 79' ' ' GLU . 7.5 tp -66.23 131.37 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.42 24.01 66.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -144.45 121.65 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 117.34 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.1 152.73 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -91.26 148.81 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 96.2 m-85 -130.81 123.52 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tp -89.04 111.98 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 99' ' ' VAL . 2.0 pt? -118.33 133.51 55.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.23 100.52 7.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.74 120.67 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -63.48 -8.34 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.48 120.9 40.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 43' ' ' ASP . 59.0 m -91.96 -59.63 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -34.89 109.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD21 ' CA ' ' A' ' 64' ' ' LYS . 5.4 mp -71.88 -58.28 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.4 m -43.12 -57.59 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -48.99 -32.38 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 41' ' ' GLU . 58.8 mt -97.89 161.23 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 m -111.89 165.33 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' CB ' HD11 ' A' ' 63' ' ' LEU . . . -132.45 121.68 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -151.02 143.73 24.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -142.75 137.94 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 24.2 tptt -132.57 105.23 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.76 169.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 111.078 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.7 Cg_endo -69.77 -17.56 37.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.47 5.73 50.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 22.56 59.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.87 113.32 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.58 159.63 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -141.76 143.36 28.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.69 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.453 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 13.3 p -98.28 145.49 26.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 49' ' ' ALA . 6.7 mt -74.65 131.58 41.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' CA ' HD21 ' A' ' 44' ' ' LEU . 10.4 ptmm? -142.14 170.46 15.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -91.37 143.4 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.8 mt -114.95 155.04 46.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.276 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.48 25.38 14.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.35 44.45 5.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -129.05 173.62 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 72' ' ' GLY . 58.4 mt -144.1 147.14 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -158.32 173.86 35.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 7.8 tt -107.58 158.19 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -130.62 112.64 13.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.583 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.0 p90 -147.59 158.18 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.5 mt -101.64 98.56 9.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 54.2 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.23 -23.36 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' C ' HD12 ' A' ' 29' ' ' LEU . 7.0 mp0 -123.11 172.99 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.97 153.3 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 138.62 -136.14 7.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -111.74 99.88 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.26 137.49 33.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 mt -106.87 114.37 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 t -93.96 117.34 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -86.65 107.04 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.9 mm -116.38 115.47 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -131.69 172.78 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.91 104.66 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.33 26.25 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.45 16.99 37.97 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' HIS . 69.3 m-80 -130.23 100.4 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 15.6 m-70 -34.47 141.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.72 -176.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.23 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 70.63 27.16 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.0 t -128.55 143.17 47.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.6 Cg_endo -69.73 156.92 92.48 Favored 'Cis proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.348 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 37' ' ' LEU . 41.0 t -88.62 122.57 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 m -80.8 129.98 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 89.5 mt -127.65 154.65 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.3 tpt -119.34 125.68 49.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.87 133.96 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.8 151.27 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.68 153.25 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -93.49 113.79 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.5 tp -62.62 151.12 38.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.45 17.39 53.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -137.91 119.44 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.63 140.03 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.68 156.38 27.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 101' ' ' ILE . 80.7 m-85 -140.52 118.36 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -93.39 115.96 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -123.53 141.3 52.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.02 97.23 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.98 131.18 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 44.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CB ' HD13 ' A' ' 47' ' ' LEU . 78.1 mm-40 -133.36 118.18 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -109.56 34.86 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 5.3 m-20 -126.9 79.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.91 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -41.73 -57.19 2.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 50.3 m -44.7 -36.11 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 41' ' ' GLU . 56.8 mt -90.02 163.66 14.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.15 146.91 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.11 121.88 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -148.02 125.35 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 52' ' ' LYS . 62.5 mt -130.01 145.3 35.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 51' ' ' ILE . 4.8 ttpm? -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . . . -45.44 168.65 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.79 -14.52 36.11 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.608 2.206 . . . . 0.0 112.383 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -89.31 -0.83 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.77 20.43 50.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -102.27 115.4 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.376 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.7 144.08 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -122.14 143.84 40.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 98.83 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.6 p -112.07 145.17 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.37 121.31 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 62' ' ' LEU . 13.5 mt -80.83 137.65 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -145.35 159.7 42.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -89.63 118.06 28.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.1 mt -88.76 154.29 50.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 178.79 4.25 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.733 2.289 . . . . 0.0 112.278 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 59.48 30.48 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 59.29 48.97 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -133.9 159.71 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.3 mt -145.08 136.51 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.75 -173.56 16.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.411 HD13 ' CD1' ' A' ' 51' ' ' ILE . 17.1 tt -117.38 147.38 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -125.06 120.29 31.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.414 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.4 p90 -150.95 172.41 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 67.0 mt -118.13 100.46 51.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.69 132.4 23.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.758 2.305 . . . . 0.0 112.347 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.49 -2.73 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' N ' HD11 ' A' ' 29' ' ' LEU . 56.6 mt-10 -141.49 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.2 m -118.61 144.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.2 -141.38 10.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -105.99 101.39 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 17.1 m80 -87.75 142.22 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.17 117.16 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 87' ' ' ILE . 14.6 t -98.41 113.61 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -82.56 109.9 17.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 85' ' ' VAL . 33.6 mm -117.42 112.25 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -131.0 172.33 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.431 ' HG2' ' ND2' ' A' ' 90' ' ' ASN . 21.0 ttmt -127.34 106.07 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 89' ' ' LYS . 69.5 m-20 62.45 27.67 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.85 17.55 37.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.89 103.32 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -39.7 144.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.67 -178.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.2 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 59.21 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 36.6 t -131.8 143.38 48.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.5 Cg_endo -69.77 153.91 93.13 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 -1.786 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 t -86.15 118.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -80.48 135.94 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 35' ' ' PHE . 74.0 mt -133.75 143.92 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 tpt -105.29 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.15 125.92 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.81 152.97 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.17 151.43 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -89.15 110.16 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 79' ' ' GLU . 13.4 tp -64.7 126.02 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.99 24.9 39.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m -150.44 132.31 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.05 138.69 53.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.9 151.11 31.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 101' ' ' ILE . 83.8 m-85 -135.97 127.64 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -93.77 108.47 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -107.5 131.37 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.06 98.71 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.57 153.24 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.411 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 43.4 m -106.88 32.72 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.8 mp0 -119.9 127.85 53.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -91.98 -44.06 9.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.81 133.77 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 64' ' ' LYS . 3.3 mp -102.16 -56.49 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -51.54 -49.31 62.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 m -58.1 -17.77 20.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 167.91 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -121.32 159.04 26.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -140.2 120.42 13.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.036 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -149.23 134.91 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.17 134.14 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.7 tptt -132.99 104.54 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.18 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.77 -17.76 37.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -96.77 8.17 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.14 24.62 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.24 114.57 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.91 156.55 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -137.25 143.72 42.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.72 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -93.69 144.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.19 131.89 31.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -92.14 135.83 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 10.2 ptpt -143.85 172.01 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -98.07 123.43 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.1 mt -93.9 154.28 40.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 60.78 33.32 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.84 49.17 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -134.46 166.79 22.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.0 mt -141.11 143.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.39 166.83 31.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.9 tt -103.71 159.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -136.27 116.09 13.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 5.9 p90 -147.88 158.97 44.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -103.0 95.78 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.0 Cg_endo -69.82 132.7 23.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 -16.72 16.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' HD12 ' A' ' 29' ' ' LEU . 2.0 tt0 -125.63 167.04 15.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.67 135.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.84 -142.42 9.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.98 111.71 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -104.87 132.65 50.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.23 115.37 30.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.3 112.72 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.79 113.26 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.6 mm -126.67 118.65 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 19.8 mttt -135.34 172.63 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -124.69 104.0 8.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 64.08 27.59 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.99 16.82 39.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' HIS . 79.0 m-20 -130.78 102.23 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.9 m-70 -34.44 141.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -104.71 174.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.9 144.73 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 63.67 33.58 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 33.2 t -137.82 143.61 40.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.82 157.98 91.65 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.288 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -85.68 125.43 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.0 p -90.06 109.72 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 102' ' ' MET . 56.5 mt -112.97 142.72 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.441 ' N ' HG21 ' A' ' 101' ' ' ILE . 16.9 tpp -109.08 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.22 136.94 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.1 170.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG21 ' CE2' ' A' ' 35' ' ' PHE . 3.0 t -141.79 155.76 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -85.1 131.04 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD11 ' C ' ' A' ' 79' ' ' GLU . 4.2 tp -82.53 133.02 35.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.83 6.89 87.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -129.86 120.58 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.45 116.1 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.51 49.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.15 144.7 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 101' ' ' ILE . 51.5 m-85 -122.59 113.52 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -83.96 105.69 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.04 144.67 48.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -90.85 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.59 120.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -82.39 43.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -131.14 116.15 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.6 p -96.35 -175.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LEU . 6.2 m-20 70.45 49.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 65' ' ' ARG . 2.9 mp -37.73 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -56.81 -51.41 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -57.13 -23.96 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.3 mt -94.85 160.74 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.54 153.61 22.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.36 123.63 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.041 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t -149.6 139.75 22.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -142.24 135.14 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -136.32 121.59 19.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -62.68 167.14 6.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -97.9 9.89 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.19 23.05 72.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -105.1 108.74 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.19 35.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 10.8 mp0 -131.4 141.06 40.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.696 0.76 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 p -108.8 145.64 34.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.36 123.44 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 mt -77.5 131.59 37.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.97 151.48 38.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.443 ' N ' HD22 ' A' ' 44' ' ' LEU . 13.0 tpt180 -78.55 147.98 33.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.1 mt -119.83 155.02 55.37 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 69.04 30.08 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 57.67 49.62 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -137.01 173.3 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.0 mt -141.12 152.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.63 156.42 27.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.31 146.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -117.3 114.5 23.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 13.7 p90 -148.62 162.27 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.0 mt -109.51 105.33 57.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.8 115.38 4.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -79.46 -17.78 53.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' HD11 ' A' ' 29' ' ' LEU . 4.5 mm-40 -141.09 -177.27 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.88 145.76 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.1 -142.32 11.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -100.4 101.73 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.46 141.17 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.83 114.5 26.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.09 113.58 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -83.66 112.95 20.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.7 mm -121.97 117.6 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -135.91 172.45 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.07 108.35 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 60.21 26.97 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.91 17.41 35.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' HIS . 74.4 m-20 -130.35 102.88 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 11.4 m-70 -36.41 151.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.0 m -113.27 -179.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.98 149.79 50.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 56.86 35.54 26.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.0 t -135.49 142.55 41.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.76 151.96 91.88 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.292 0.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.0 120.58 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.5 p -82.24 131.23 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.546 HG21 ' CE2' ' A' ' 35' ' ' PHE . 80.4 mt -129.53 143.73 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.444 ' N ' HG23 ' A' ' 101' ' ' ILE . 6.7 tpt -108.09 117.58 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.59 133.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.14 135.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HA ' ' CG2' ' A' ' 104' ' ' VAL . 11.1 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.816 0.341 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.26 149.44 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.75 118.82 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . 28.8 tp -80.13 120.63 24.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.11 14.39 45.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -142.58 147.43 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.52 138.75 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -93.48 140.97 28.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 48.5 m-85 -124.06 108.49 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -85.99 114.88 23.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -126.55 139.02 53.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.07 103.34 13.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -129.62 146.98 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 t -84.84 34.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -133.12 133.46 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.04 -56.89 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.4 m-20 -38.6 98.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -59.66 -61.55 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -48.14 -47.63 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 17.4 m -54.27 -32.62 56.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.31 172.63 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -132.44 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.78 122.16 38.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -146.67 137.23 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -137.43 132.25 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' ALA . 5.3 tptm -126.87 101.14 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.61 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.75 -15.34 37.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.5 p -97.65 7.68 46.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.36 15.77 79.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.03 122.39 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.39 153.05 44.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -129.16 143.82 50.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.607 2.205 . . . . 0.0 112.311 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 p -90.08 145.71 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.1 120.61 11.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.3 144.15 28.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -148.44 178.09 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 115.57 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 95.7 mt -84.06 153.79 63.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 175.21 8.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.617 2.212 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.0 m120 62.02 30.1 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 61.8 41.73 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.458 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 4.1 m-70 -123.21 157.89 32.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 72' ' ' GLY . 43.8 mt -145.1 135.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.439 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -148.57 -170.9 16.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 tt -110.08 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -134.8 108.58 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.2 p90 -145.05 161.61 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.84 102.11 46.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.16 27.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -103.27 -12.47 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -133.89 162.37 32.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -113.1 143.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.22 -135.07 5.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -103.96 104.57 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -99.63 128.28 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.6 120.36 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG1' HD11 ' A' ' 87' ' ' ILE . 23.9 t -99.96 114.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.93 111.26 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 85' ' ' VAL . 16.1 mm -119.5 119.49 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -137.31 172.0 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -127.08 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 58.54 26.08 13.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.74 33.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.8 m-80 -130.83 101.77 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.4 m-70 -34.65 145.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.24 179.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.57 145.44 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 65.1 29.12 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.4 t -131.31 142.79 46.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.77 147.17 84.13 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.287 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.98 119.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.2 p -84.56 119.36 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 102' ' ' MET . 40.6 mt -125.93 141.91 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.44 ' N ' HG23 ' A' ' 101' ' ' ILE . 5.9 tpt -106.8 116.89 32.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.8 131.99 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 26' ' ' GLN . 11.2 m -135.69 171.86 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 29' ' ' LEU . 1.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.84 0.352 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 28' ' ' LYS . 23.7 t -137.15 155.96 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -93.04 114.85 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 78' ' ' ARG . 13.7 tp -79.18 113.71 17.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.92 13.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 76' ' ' ILE . 3.9 t -152.02 145.19 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.6 107.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.21 128.9 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -86.44 135.4 33.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 94.9 m-85 -119.44 122.95 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.27 117.76 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.49 158.28 38.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.18 97.91 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -120.73 148.27 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -89.91 31.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -126.04 120.29 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 43' ' ' ASP . 15.1 t -92.78 -46.76 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' N ' ' CG2' ' A' ' 42' ' ' THR . 1.1 m-20 -48.75 126.22 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD23 ' CA ' ' A' ' 64' ' ' LYS . 1.7 mt -90.3 -59.68 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -58.59 -45.44 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 42.8 m -54.39 -18.96 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.59 164.65 11.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -114.44 150.32 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.31 116.6 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t -147.99 144.58 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.3 mt -143.89 134.85 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -133.83 103.58 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.06 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.9 Cg_endo -69.74 -17.99 37.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -96.07 8.09 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 21.44 61.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -98.69 120.97 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.45 146.0 41.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -125.87 144.05 47.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.13 144.84 29.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.83 120.15 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.61 134.29 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CA ' HD23 ' A' ' 44' ' ' LEU . 11.4 ptmm? -140.95 177.43 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.65 121.51 44.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 96.0 mt -90.64 153.64 45.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 173.96 10.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.415 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 t-20 65.28 27.54 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 62.78 44.87 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 8.2 m-70 -129.56 160.23 33.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 72' ' ' GLY . 96.6 mt -145.02 140.6 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -151.59 -177.24 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.55 150.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -127.47 110.65 12.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -146.96 160.38 42.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' SER . 7.6 mt -104.5 100.66 23.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' HD12 ' A' ' 29' ' ' LEU . 9.9 tpt180 -92.16 -34.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.818 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 7.6 tp10 -111.42 153.78 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 26.8 m -103.73 141.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.29 -136.76 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -104.55 104.79 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -96.94 136.76 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -107.44 116.25 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 98' ' ' PRO . 13.4 t -94.74 114.27 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 m -82.68 108.65 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.0 mm -120.46 113.95 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 23.1 mttt -132.71 173.63 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -131.35 111.99 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 90' ' ' ASN . 1.1 m-80 61.12 28.94 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.75 17.48 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' HIS . 73.8 m-20 -130.87 102.64 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' ASN . 10.7 m-70 -34.11 143.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.27 178.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.03 139.45 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 69.09 28.54 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 11.1 t -128.45 146.51 60.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.78 159.21 90.11 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.334 0.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.17 122.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -84.44 118.9 24.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 35' ' ' PHE . 82.2 mt -122.05 145.03 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.432 ' N ' HG22 ' A' ' 101' ' ' ILE . 7.0 tpt -108.0 118.04 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -104.72 137.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.81 153.38 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.439 ' C ' ' HD3' ' A' ' 28' ' ' LYS . 5.6 t -137.47 167.21 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 1.8 mppt? -104.8 118.81 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 78' ' ' ARG . 9.8 tp -69.66 112.38 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.03 6.98 29.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -139.29 133.14 30.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 117.33 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.43 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -114.78 155.28 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.44 152.81 18.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 64.6 m-85 -133.42 114.97 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 66' ' ' LEU . 6.8 tp -86.47 118.3 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -133.23 135.36 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -81.95 102.71 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.13 140.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.4 m -80.01 47.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.71 114.54 12.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -93.84 -27.3 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -76.81 140.94 40.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -102.7 -58.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -52.23 -43.45 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 m -59.22 -25.63 64.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -92.75 170.0 10.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -119.13 151.36 38.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.2 116.89 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -150.18 131.72 14.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 52' ' ' LYS . 45.8 mt -140.82 152.28 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 51' ' ' ILE . 24.7 ttpt -159.05 121.14 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -47.8 168.32 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 111.04 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -15.52 37.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -88.66 -1.13 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.35 20.56 41.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -103.7 111.19 23.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 161.09 1.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -141.44 143.96 32.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.56 137.93 45.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.18 119.89 17.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.69 130.72 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.72 166.22 24.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH2' ' HA ' ' A' ' 69' ' ' ASN . 12.2 tpt180 -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.433 ' CD1' HD13 ' A' ' 36' ' ' LEU . 92.1 mt -104.85 154.46 38.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.9 11.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 6.8 m-20 61.38 41.26 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 11.5 t-20 49.6 49.91 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 33.6 m-70 -133.14 163.08 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 72' ' ' GLY . 46.6 mt -144.32 142.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -151.55 169.48 31.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.407 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -105.23 154.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 t -131.03 122.67 27.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.3 p90 -152.62 159.52 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -102.61 100.92 17.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.8 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' C ' HD13 ' A' ' 29' ' ' LEU . 5.9 tpt180 -87.62 -30.14 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -120.1 171.34 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.4 142.48 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.99 -142.83 10.94 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -102.75 103.98 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.46 116.39 28.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 87' ' ' ILE . 10.6 t -96.94 112.66 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -83.9 106.89 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CD1' HG12 ' A' ' 85' ' ' VAL . 13.5 mm -118.53 114.23 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -130.93 172.97 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -126.88 105.29 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 60.38 28.13 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.95 17.63 34.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -130.65 102.67 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.62 143.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.09 -178.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 146.74 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 62.71 27.75 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 30.1 t -128.98 144.18 51.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 145.29 79.19 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.603 -1.832 . . . . 0.0 112.355 0.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.44 124.96 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.8 p -87.49 131.78 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.535 HG22 ' CE2' ' A' ' 35' ' ' PHE . 84.5 mt -128.48 146.39 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.9 tpt -111.31 118.91 37.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.53 131.21 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.49 143.71 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 t -129.78 162.65 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -96.32 105.93 18.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 79' ' ' GLU . 15.5 tp -59.09 139.39 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.67 21.58 78.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -147.88 127.81 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.13 130.66 39.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.34 39.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.52 151.02 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 35.5 m-85 -135.49 112.04 9.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 tp -88.78 124.51 34.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -80.68 99.4 8.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -125.6 137.83 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -84.22 37.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -133.06 124.13 27.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' ASP . 17.7 p -90.15 -64.9 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-20 -35.41 125.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 64' ' ' LYS . 1.7 mt -83.75 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 t -53.38 -43.47 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 7.4 m -55.88 -23.67 32.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.6 mt -99.84 166.85 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -126.07 160.56 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' CB ' ' HG ' ' A' ' 63' ' ' LEU . . . -135.72 124.72 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -150.18 135.12 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG1' HG11 ' A' ' 85' ' ' VAL . 65.9 mt -142.96 140.97 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -140.13 114.21 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' N ' ' OE2' ' A' ' 59' ' ' GLU . . . -44.48 169.47 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -16.4 37.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -91.74 2.94 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.65 8.87 72.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -89.27 110.31 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 141.87 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 53' ' ' ALA . 39.2 mp0 -114.69 142.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.74 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 93.43 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 29.8 p -104.05 149.19 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -144.99 127.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 49' ' ' ALA . 8.9 mt -78.01 135.09 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' C ' HD23 ' A' ' 44' ' ' LEU . 13.6 ptmt -141.85 175.24 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.76 120.29 41.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.3 mt -90.58 154.02 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -175.84 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 112.372 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 54.81 27.84 9.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 62.29 51.79 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -136.44 160.38 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 72' ' ' GLY . 87.6 mt -145.05 136.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 71' ' ' ILE . . . -145.08 -167.01 11.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 51' ' ' ILE . 16.3 tt -117.39 146.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 111.083 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -121.0 115.4 23.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -150.09 165.91 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 14.0 mt -113.64 106.7 53.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 131.93 22.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.304 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -96.87 -28.12 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' C ' HD11 ' A' ' 29' ' ' LEU . 25.3 mm-40 -126.9 -179.82 5.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG12 ' CA ' ' A' ' 104' ' ' VAL . 5.5 m -123.7 147.66 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.52 -135.01 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.55 104.43 14.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -97.25 140.11 32.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.57 128.65 56.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 51' ' ' ILE . 17.5 t -107.31 112.48 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -83.08 103.84 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CD1' HG13 ' A' ' 85' ' ' VAL . 30.2 mm -109.33 126.35 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -141.88 171.07 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -125.7 105.66 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 62.34 26.26 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.18 16.74 34.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' HIS . 63.0 m-80 -130.87 102.56 6.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ASN . 7.7 m-70 -36.49 151.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 m -115.77 174.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 144.65 56.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 70.56 27.27 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 22.0 t -133.6 144.99 54.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.8 Cg_endo -69.75 156.11 92.91 Favored 'Cis proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.393 -0.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.8 t -84.86 136.92 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 p -99.28 121.48 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 35' ' ' PHE . 74.0 mt -125.71 143.11 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.1 tpt -103.97 121.19 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.2 t -113.7 134.34 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.44 ' CA ' HG12 ' A' ' 80' ' ' VAL . 19.0 m -151.11 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 27.4 t -138.55 156.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -91.49 120.6 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 80' ' ' VAL . 8.4 tp -64.02 146.84 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.28 22.75 59.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.0 m -137.59 134.44 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 112.1 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.17 162.9 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.99 157.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 96.6 m-85 -139.62 124.03 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -97.16 111.94 23.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -121.55 128.15 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.66 97.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -126.99 132.52 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 m -84.42 44.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CB ' HD11 ' A' ' 47' ' ' LEU . 7.1 mm-40 -137.45 126.45 24.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 33.0 p -97.56 -65.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 3.5 p30 -34.57 114.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.02 -58.86 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 p -47.32 -54.04 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -48.35 -34.54 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 41' ' ' GLU . 64.5 mt -90.57 168.53 11.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -129.75 153.69 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.22 123.63 39.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -148.61 138.64 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 60.2 mt -138.68 136.31 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 51' ' ' ILE . 5.6 tptm -130.28 102.9 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.82 169.29 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.5 Cg_endo -69.76 -17.06 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.373 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.92 7.17 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.93 23.06 64.74 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.42 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -102.74 114.66 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.77 148.82 32.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -127.14 143.57 47.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.71 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.8 p -101.71 144.23 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.93 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.04 137.75 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.4 164.56 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -89.67 127.06 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.99 155.05 37.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.621 0.724 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 164.06 36.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 40.3 t30 73.69 28.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 m120 61.31 41.51 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 15.6 m-70 -127.76 165.55 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.8 mt -141.34 141.29 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.68 174.5 26.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.3 tt -107.14 155.7 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -132.87 119.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 51' ' ' ILE . 20.7 p90 -155.51 154.37 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 70.4 mt -97.61 102.81 14.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.75 96.45 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -33.9 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -122.08 174.19 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 29' ' ' LEU . 27.9 m -117.13 162.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' C ' ' HE2' ' A' ' 102' ' ' MET . . . 131.95 -133.34 7.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.67 101.43 10.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -93.57 125.85 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -100.86 114.69 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.2 t -93.07 115.46 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 m -87.12 107.17 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.1 mm -115.19 114.77 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -131.85 171.91 12.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -125.21 106.51 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 60.74 27.08 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.57 17.09 34.6 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' HIS . 27.7 m-80 -130.77 101.97 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.7 m-70 -37.44 146.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.46 -177.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.09 146.02 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 65.21 29.18 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.4 t -133.91 144.89 53.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 154.21 93.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.357 0.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.41 120.62 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -86.53 130.65 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.406 HG21 ' CE2' ' A' ' 35' ' ' PHE . 51.5 mt -130.45 141.07 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.415 ' HE2' ' C ' ' A' ' 81' ' ' GLY . 5.5 tpt -103.6 126.24 50.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 104' ' ' VAL . 95.9 t -119.76 143.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 103' ' ' VAL . 25.7 m -154.43 149.3 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 2.6 t -140.84 159.81 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -92.69 114.71 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 78' ' ' ARG . 14.7 tp -72.24 114.01 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.7 4.97 39.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 118.21 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' CG1' ' A' ' 27' ' ' VAL . . . -123.38 135.23 54.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.04 148.33 25.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' CE2' HG23 ' A' ' 101' ' ' ILE . 38.1 m-85 -129.04 125.14 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.83 112.32 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -120.61 133.66 55.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.42 102.19 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -128.77 166.81 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m -111.39 30.05 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -122.0 122.98 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -90.04 -47.36 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.01 170.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 64' ' ' LYS . 2.6 mp -134.7 -43.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.9 p -72.29 -36.3 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -71.71 -8.58 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.76 170.45 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.45 149.25 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' CB ' ' HG ' ' A' ' 63' ' ' LEU . . . -138.32 117.0 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 m -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -131.85 138.84 51.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.1 tppt? -140.14 125.33 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -66.21 167.16 13.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.77 -11.47 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.742 2.295 . . . . 0.0 112.288 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 m -98.68 9.76 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.69 25.2 65.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 mmm180 -107.42 112.56 25.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.36 153.62 43.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.44 144.33 52.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 96.88 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.391 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 20.7 p -98.41 141.32 31.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.18 119.96 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.422 ' HG ' ' CB ' ' A' ' 49' ' ' ALA . 78.6 mt -78.73 143.46 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 13.4 ptmt -147.77 176.16 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -110.25 117.91 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.89 154.27 49.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 50.68 29.9 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 59.39 45.91 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -127.75 164.32 22.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.8 mt -141.22 146.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.8 167.87 34.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 7.3 tt -101.04 154.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 t -129.44 114.21 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -149.92 161.81 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.4 mt -106.65 100.92 33.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.85 139.46 39.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' C ' ' CD1' ' A' ' 29' ' ' LEU . 15.5 mmm180 -111.44 -29.93 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 17.8 tp10 -111.52 152.83 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 32.7 m -105.64 134.16 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 -139.94 7.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.36 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -96.17 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -121.09 116.52 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 87' ' ' ILE . 12.4 t -95.35 112.57 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -87.68 104.97 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 85' ' ' VAL . 13.0 mm -113.98 125.27 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -137.86 177.38 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -131.44 104.0 6.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 61.31 30.31 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.25 42.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.78 104.93 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -39.34 144.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.4 m -103.15 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.53 140.98 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 68.67 29.57 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.5 t -131.58 143.15 47.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.74 151.8 91.7 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.343 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.7 t -87.41 131.57 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.8 p -88.64 126.56 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 102' ' ' MET . 81.6 mt -127.51 143.64 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.463 ' N ' HG21 ' A' ' 101' ' ' ILE . 5.9 tpt -108.62 124.63 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.66 125.21 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.21 156.14 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.431 ' C ' ' HE3' ' A' ' 28' ' ' LYS . 7.6 t -123.61 161.88 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE3' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -94.7 136.89 34.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 79' ' ' GLU . 8.8 tp -87.08 121.72 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.48 -2.78 57.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -123.08 153.63 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 118.6 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' CB ' HG12 ' A' ' 27' ' ' VAL . . . -125.29 138.91 54.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.31 151.24 28.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 101' ' ' ILE . 68.3 m-85 -131.29 118.24 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -85.53 122.04 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -133.28 139.81 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.38 97.79 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pt -122.03 128.6 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 m -84.53 37.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -129.47 129.25 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.6 t -118.03 39.64 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 3.3 m-20 -130.75 69.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' ASP . 1.9 mt -36.56 -59.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -50.83 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 18.9 m -48.01 -19.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.33 162.29 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -121.72 166.24 14.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' SG ' ' A' ' 61' ' ' CYS . . . -138.02 116.22 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -145.35 133.57 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.7 mt -136.23 145.23 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HE2' ' CA ' ' A' ' 56' ' ' GLY . 14.4 tptm -143.86 107.93 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -44.03 169.88 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 83' ' ' HIS . 54.2 Cg_endo -69.81 -18.51 36.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.627 2.218 . . . . 0.0 112.364 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.4 m -96.65 5.86 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' CA ' ' HE2' ' A' ' 52' ' ' LYS . . . 85.33 24.06 45.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -98.16 117.56 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.4 142.98 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 79.4 mt-10 -126.81 143.84 48.02 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 86.7 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 49' ' ' ALA . 29.9 p -90.82 145.37 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.44 119.96 11.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.54 140.36 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.5 161.39 40.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -90.94 132.74 35.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -105.71 155.03 38.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.86 17.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.502 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER 69.3 31.09 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 59.44 32.7 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.502 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 5.7 m-70 -116.46 164.72 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.28 140.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.38 165.99 30.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.49 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.35 157.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -130.56 118.21 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 10.7 p90 -153.35 156.09 37.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.94 100.26 10.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.91 -35.63 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.5 tp10 -112.07 153.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 27.1 m -104.17 143.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.2 -134.93 5.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -107.65 106.6 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 9.8 m80 -98.84 143.36 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 mt -112.48 115.01 27.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 87' ' ' ILE . 12.1 t -94.09 118.54 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 107.09 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 85' ' ' VAL . 16.9 mm -115.02 118.54 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -136.53 173.17 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -127.72 106.66 9.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 60.77 27.34 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.14 18.43 33.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' HIS . 32.2 m-20 -131.02 99.62 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.759 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 5.7 m-70 -35.92 144.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -108.3 176.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.96 149.45 47.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 61.51 29.66 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.2 t -132.7 141.31 40.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.76 158.16 91.29 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.58 131.09 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.7 p -89.54 117.54 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 35' ' ' PHE . 68.3 mt -116.89 145.53 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.437 ' N ' HG21 ' A' ' 101' ' ' ILE . 4.4 tpt -113.73 119.97 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.0 143.78 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -155.71 144.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.73 156.11 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -90.34 117.36 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 tp -71.88 136.61 47.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.93 18.69 78.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.409 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -147.93 135.08 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.29 128.64 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.0 127.76 34.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.75 156.58 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 97.0 m-85 -138.8 117.51 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.25 115.49 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -126.66 142.57 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.55 100.96 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.6 pt -126.65 142.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.47 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 4.0 m -85.35 27.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 6.8 mp0 -125.86 120.45 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.436 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 5.6 t -100.66 -28.01 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.33 105.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.11 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -46.47 -51.37 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -48.67 -38.51 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 41' ' ' GLU . 63.0 mt -88.52 157.6 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.61 148.56 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.51 122.95 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -152.24 139.43 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 52' ' ' LYS . 78.2 mt -139.82 142.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 51' ' ' ILE . 6.8 tptm -141.49 105.34 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.73 169.33 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.72 -18.88 36.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 m -97.79 9.45 42.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.65 17.62 67.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 5.0 mmm180 -90.08 114.09 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.5 137.48 46.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 86.7 mt-10 -121.94 143.61 39.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 92.72 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.74 144.05 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.9 123.62 14.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.49 135.78 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -141.75 160.65 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -84.53 133.81 34.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 72' ' ' GLY . 82.2 mt -105.94 154.59 39.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.76 29.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.25 28.66 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.49 47.23 8.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -133.51 165.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 42' ' ' THR . 49.5 mt -143.32 143.8 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 66' ' ' LEU . . . -149.17 167.11 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.446 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 tt -97.77 149.08 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.055 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -125.7 114.43 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 9.5 p90 -150.95 167.93 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.7 mt -112.28 101.75 52.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.544 0.688 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.1 Cg_endo -69.66 133.55 26.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.3 -33.6 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 3.6 tp10 -114.23 151.83 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 m -101.01 141.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.59 -140.83 8.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -102.03 105.89 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -98.45 140.33 32.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.4 mt -116.0 114.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.434 ' CG1' HD12 ' A' ' 87' ' ' ILE . 16.9 t -92.64 117.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.0 m -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.434 HD12 ' CG1' ' A' ' 85' ' ' VAL . 26.9 mm -117.26 110.53 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 13.7 mttt -128.96 170.8 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -123.56 106.41 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 61.27 26.93 16.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.28 39.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.0 m-80 -129.79 100.12 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.9 m-70 -34.5 137.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.2 m -100.4 178.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.98 146.76 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 62.32 28.71 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.9 t -129.86 141.84 43.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.73 154.48 93.22 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.358 -0.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 t -78.09 127.38 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 p -91.54 116.26 28.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.75 150.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.7 tpt -113.2 116.77 30.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -102.77 131.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 151.19 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 80' ' ' VAL . 40.6 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 t -118.06 157.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -92.92 98.68 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 79' ' ' GLU . 13.3 tp -55.25 139.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.58 26.97 73.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -153.84 119.73 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.55 129.7 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.8 136.75 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.8 147.44 24.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 93.4 m-85 -127.24 148.06 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -113.79 103.15 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -105.6 140.02 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.72 103.48 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.4 pt -134.15 147.24 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 m -92.7 34.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' HD21 ' A' ' 47' ' ' LEU . 29.8 mt-10 -127.53 120.26 27.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 p -86.8 -49.35 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 5.1 t0 -39.84 153.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.405 HD22 ' C ' ' A' ' 64' ' ' LYS . 1.8 mt -116.96 -52.77 2.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -65.91 -41.58 91.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' HB2' ' CG ' ' A' ' 43' ' ' ASP . 16.1 m -59.17 -22.37 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD21 ' CD ' ' A' ' 41' ' ' GLU . 77.9 mt -95.65 161.08 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 m -117.72 151.71 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' CB ' ' HG ' ' A' ' 63' ' ' LEU . . . -126.36 125.63 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -151.55 138.59 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 54.8 mt -141.13 138.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' HG22 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -138.07 121.35 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -61.3 165.86 6.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.4 Cg_endo -69.75 -11.28 30.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -99.37 9.34 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.88 25.3 64.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -106.72 109.15 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.68 157.33 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -138.63 142.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.89 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 1.8 p -113.65 147.53 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.08 143.67 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' A' ' 49' ' ' ALA . 16.2 mt -97.32 125.52 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' C ' HD22 ' A' ' 44' ' ' LEU . 9.2 ptmt -131.09 176.14 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -109.16 116.95 32.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 82.0 mt -86.92 152.51 53.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.63 27.35 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 63.37 48.18 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m-70 -132.47 159.02 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 72' ' ' GLY . 54.4 mt -145.01 138.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 71' ' ' ILE . . . -145.23 -167.73 12.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 8.6 tt -110.69 164.17 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 p -136.4 109.88 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 16.9 p90 -150.63 173.15 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mt -120.53 102.29 45.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 121.43 8.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' C ' HD12 ' A' ' 29' ' ' LEU . 1.4 mpt_? -90.29 -24.43 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 29' ' ' LEU . 21.6 mt-10 -118.99 165.68 13.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.67 138.37 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' HE3' ' A' ' 102' ' ' MET . . . 149.92 -136.41 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.434 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -105.63 99.31 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -89.68 125.07 35.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.86 118.53 31.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -98.6 114.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -84.84 106.96 16.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mm -116.1 118.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 19.1 mttt -134.3 171.04 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -125.47 104.42 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 62.24 28.63 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.37 17.29 40.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -130.21 103.35 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.413 ' NE2' ' HE2' ' A' ' 88' ' ' LYS . 17.3 m-70 -38.85 146.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.07 176.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.51 56.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 67.88 29.18 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 48.4 t -133.65 142.64 44.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.8 146.43 82.24 Favored 'Cis proline' 0 C--N 1.341 0.134 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.274 0.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.9 t -82.63 117.73 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -85.46 129.88 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.78 148.17 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 81' ' ' GLY . 5.8 tpt -104.17 124.31 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.84 130.76 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.78 146.4 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -129.39 154.96 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.35 127.65 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.2 147.67 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.07 18.63 57.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.449 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 m -141.81 119.1 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.22 124.66 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.39 153.76 47.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.28 123.71 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 66' ' ' LEU . 5.1 tp -91.54 108.84 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -120.14 136.37 54.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.38 96.96 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -125.17 130.06 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.0 m -80.95 44.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' CB ' HD11 ' A' ' 47' ' ' LEU . 17.8 mp0 -137.74 115.03 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -88.11 -63.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.6 m-20 -38.72 103.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.47 -57.87 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.0 m -50.41 -41.92 52.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.7 m -57.78 -29.1 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 41' ' ' GLU . 97.1 mt -93.5 173.61 7.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -124.26 154.62 39.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.05 119.91 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -151.87 137.95 18.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.489 ' CD1' ' CD2' ' A' ' 75' ' ' PHE . 70.7 mt -140.98 142.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.5 tppt? -140.44 131.96 27.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -73.39 168.87 21.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.708 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.85 -13.72 34.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -98.22 11.08 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 75.48 25.16 68.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -105.56 108.86 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 146.27 54.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -126.97 143.81 48.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.74 0.781 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 111.43 2.81 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.5 p -112.49 151.93 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -144.98 128.73 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 mt -95.09 136.08 35.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -144.66 166.85 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 114.66 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 36' ' ' LEU . 16.9 mt -69.75 151.35 96.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.3 9.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.617 2.211 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.523 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 17.1 m120 -74.78 59.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 68' ' ' ASN . 7.5 m120 33.24 47.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 34.0 m-70 -147.01 179.56 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.44 ' N ' HD11 ' A' ' 66' ' ' LEU . 47.3 mt -146.89 127.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.82 -164.82 11.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.456 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 tt -120.59 157.34 23.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.3 t -133.26 109.88 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 8.6 p90 -146.6 159.99 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 59.1 mt -105.85 105.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 126.99 13.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -97.82 -5.12 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -145.12 165.95 26.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -114.01 138.53 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.45 -134.95 5.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.81 104.88 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -96.36 131.97 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.6 118.32 36.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 87' ' ' ILE . 38.5 t -98.71 117.27 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 m -85.52 109.95 18.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.445 ' CD1' HG12 ' A' ' 85' ' ' VAL . 20.1 mm -119.33 112.57 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -128.17 172.27 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -127.39 105.83 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 62.88 25.56 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.05 16.02 36.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 20.3 m-80 -130.88 102.66 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -34.48 144.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.43 178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.57 147.58 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 63.04 27.94 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.1 t -129.83 144.03 51.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.815 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.3 Cg_endo -69.77 153.02 92.84 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -85.44 121.26 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.9 m -88.44 122.59 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 102' ' ' MET . 46.4 mt -124.41 141.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.438 ' N ' HG23 ' A' ' 101' ' ' ILE . 21.6 tpp -99.46 120.37 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.62 138.01 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.05 161.55 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.836 0.35 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG11 ' CB ' ' A' ' 33' ' ' ALA . 1.6 t -134.68 160.3 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -93.97 118.68 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.9 126.62 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.64 9.36 61.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -135.13 162.54 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.98 110.0 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' CB ' HG11 ' A' ' 27' ' ' VAL . . . -111.61 148.51 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -96.05 145.27 25.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 85.8 m-85 -120.9 113.54 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 66' ' ' LEU . 13.5 tp -85.24 111.93 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.2 133.3 48.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.94 101.93 13.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.7 pt -129.89 137.89 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -78.31 46.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -132.5 121.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 62.9 m -99.44 -72.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -36.15 108.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.84 -59.72 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 p -47.04 -42.03 17.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -57.96 -33.51 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.03 165.92 14.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.39 152.26 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.13 117.36 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -152.64 141.69 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -145.46 136.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -137.14 129.67 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -70.82 168.45 20.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.8 -13.36 34.45 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -98.43 11.39 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 74.4 24.66 72.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.78 109.25 20.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 150.74 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -130.44 144.52 53.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.83 3.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.53 140.2 50.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.78 122.29 17.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.33 133.46 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -145.05 158.28 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.1 134.29 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 36' ' ' LEU . 65.9 mt -104.01 154.73 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.04 36.04 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.674 2.249 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.5 m-20 72.95 33.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 55.79 41.3 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 7.1 m-70 -127.03 168.36 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.2 mt -143.49 148.58 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.82 162.75 31.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.8 tt -104.46 152.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -126.79 126.58 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 19.3 p90 -158.5 153.67 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.94 105.35 41.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.63 6.55 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.267 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.05 -31.52 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -115.91 178.87 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.11 141.38 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.54 -138.89 7.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -103.21 99.63 9.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -89.77 142.02 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.0 116.55 28.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 87' ' ' ILE . 19.8 t -92.94 112.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.49 109.8 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 85' ' ' VAL . 12.1 mm -122.67 114.96 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -129.52 174.89 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -128.44 106.46 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 60.88 26.0 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.94 15.55 38.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' HIS . 14.0 m-80 -130.53 102.43 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ASN . 20.1 m-70 -34.62 143.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.32 -177.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 145.42 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 65.35 25.01 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 18.1 t -127.68 145.14 53.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 97' ' ' SER . 52.8 Cg_endo -69.84 147.93 85.83 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.331 0.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.07 129.7 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 p -90.73 122.83 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.445 HG23 ' CE2' ' A' ' 35' ' ' PHE . 97.9 mt -125.81 146.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.0 tpt -108.87 127.13 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.2 141.02 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 m -154.21 156.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -115.44 118.32 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -117.62 155.45 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 -99.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -75.28 79.5 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p 37.99 53.41 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.6 123.15 5.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.403 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -73.13 142.14 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 127.13 14.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.65 -119.46 4.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -174.79 143.81 0.83 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.729 0.776 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -173.29 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.702 2.268 . . . . 0.0 112.241 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -75.96 -55.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -70.25 150.24 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.4 123.63 31.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -129.05 18.8 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.3 pt -41.19 143.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.61 43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.13 115.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.64 165.02 25.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -86.9 35.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -44.9 169.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -84.48 42.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.5 m -140.35 162.26 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 104' ' ' VAL . 25.2 tt0 -123.8 129.5 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.12 159.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -90.48 106.08 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tp -66.92 134.07 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 16.25 66.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -148.95 127.93 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 111.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.98 135.34 54.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.26 151.29 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 98.6 m-85 -131.25 123.43 28.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD1' HD12 ' A' ' 66' ' ' LEU . 4.5 tp -92.43 108.0 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -120.36 140.2 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.55 98.19 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -122.84 139.01 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.478 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 42.3 m -83.53 37.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' CD ' ' C ' ' A' ' 40' ' ' SER . 8.8 mp0 -131.18 118.17 20.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 m -87.63 -61.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -38.49 122.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 65' ' ' ARG . 1.7 mt -87.93 -62.68 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -52.7 -46.02 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -53.44 -17.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.4 mt -101.75 162.89 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -113.24 153.62 28.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.23 116.77 21.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -149.0 141.5 24.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.458 HD12 ' CG ' ' A' ' 75' ' ' PHE . 14.8 mt -141.9 149.07 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.0 tptt -145.22 106.37 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.64 169.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 83' ' ' HIS . 53.3 Cg_endo -69.77 -19.83 35.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m -94.58 5.04 53.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 82.86 25.13 50.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -102.64 110.32 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.44 148.82 22.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -133.88 143.97 49.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 106.6 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 75' ' ' PHE . 26.8 p -110.7 144.52 39.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.64 122.15 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 mt -89.14 133.56 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 74' ' ' SER . 5.3 ptpt -137.67 161.48 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.11 118.05 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD12 ' CD1' ' A' ' 36' ' ' LEU . 85.2 mt -89.46 153.77 48.39 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.8 30.36 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 59.38 52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -136.99 160.89 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 72' ' ' GLY . 29.6 mt -144.92 134.0 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 71' ' ' ILE . . . -145.01 167.34 27.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 tt -99.65 156.27 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.458 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t -136.26 110.26 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.7 p90 -136.25 163.3 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.1 mt -104.39 93.22 5.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.2 Cg_endo -69.82 129.57 17.75 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -99.26 -34.81 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 8.3 tp10 -106.99 154.68 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 30.7 m -105.59 140.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.31 -140.56 9.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.564 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -100.21 104.25 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 6.9 m80 -94.66 144.76 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.44 117.25 29.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.8 t -97.91 119.62 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.55 103.94 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.67 113.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -131.12 171.18 13.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -124.45 106.6 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.99 29.55 19.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.09 18.49 39.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' HIS . 37.5 m-80 -130.76 102.59 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.8 m-70 -37.97 141.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.7 m -103.77 178.7 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.32 54.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 68.77 25.73 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 19.6 t -126.73 145.06 52.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.673 0.749 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.4 Cg_endo -69.78 144.37 76.49 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.338 -0.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.23 126.6 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.3 p -88.88 135.57 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 102' ' ' MET . 42.4 mt -137.85 142.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.43 ' N ' HG23 ' A' ' 101' ' ' ILE . 7.5 tpt -101.78 123.72 46.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.59 128.01 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 26' ' ' GLN . 25.9 m -137.11 145.2 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -70.31 127.69 33.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -71.46 -53.01 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -127.44 146.03 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 34.5 mt -75.41 99.31 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.6 134.54 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -87.23 95.66 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.3 t 61.26 42.72 11.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -172.74 54.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 103.74 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.8 p -161.96 139.65 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.7 m -50.02 174.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -87.46 140.87 29.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -98.98 154.46 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.92 121.48 13.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -43.54 138.08 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -133.72 168.7 18.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.24 56.28 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.14 147.33 79.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.513 0.673 . . . . 0.0 111.205 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 149.41 66.49 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.89 176.1 48.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -87.92 143.91 34.01 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' THR . 53.0 Cg_endo -69.75 -5.25 15.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.19 85.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' PRO . 38.5 p -92.33 132.4 36.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.0 146.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -69.96 -51.42 32.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 pt -48.53 170.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -132.49 103.8 6.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.61 -44.12 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.35 87.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 t -64.9 78.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -124.58 166.65 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -105.92 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.85 146.25 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 m -73.73 137.47 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -103.88 124.15 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.2 149.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -89.84 103.06 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 78' ' ' ARG . 12.5 tp -60.19 140.04 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.99 19.99 79.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -148.12 137.7 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 111.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.6 136.97 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.93 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.7 125.22 28.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tp -92.57 111.63 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -121.33 129.98 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.1 t70 -78.19 99.76 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 pt -131.14 138.24 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 67.8 p -85.82 29.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 3.3 mp0 -120.45 115.99 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -115.04 38.83 3.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LEU . 13.3 m-20 -127.13 72.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' ASP . 4.6 mp -36.67 -69.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -42.1 -64.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.4 m -47.13 -29.55 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 mt -95.93 156.9 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -118.25 155.54 30.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.55 122.1 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -145.4 142.0 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.3 mt -143.46 128.21 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -128.09 103.75 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.33 168.45 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.736 . . . . 0.0 111.042 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.0 Cg_endo -69.68 -18.34 37.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -96.07 5.63 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.46 53.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -101.66 118.54 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.78 150.88 48.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -130.15 141.86 43.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.704 0.764 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 91.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 p -96.43 137.48 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.09 117.42 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.81 133.16 38.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -143.53 155.9 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -82.85 136.84 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.0 mt -106.25 155.49 38.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.726 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.44 21.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 66.43 30.8 8.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.8 50.02 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -134.43 166.57 22.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 72' ' ' GLY . 55.0 mt -143.95 153.05 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -160.1 175.61 36.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.439 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.4 tt -109.72 146.22 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -126.68 118.76 25.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.3 p90 -151.28 158.52 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.4 mt -102.42 97.6 9.13 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 123.07 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.95 -28.24 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -121.62 170.32 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.67 143.12 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.7 -144.65 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -100.58 99.31 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -92.13 143.47 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.5 mt -114.38 114.3 25.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.3 t -93.19 112.62 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 110.09 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mm -120.76 115.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 25.9 mttt -133.86 172.26 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -128.92 109.67 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' ND2' ' N ' ' A' ' 90' ' ' ASN . 1.4 m120 61.3 27.13 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.42 16.56 45.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' HIS . 44.7 m-80 -130.83 103.55 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-70 -36.39 143.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.0 m -104.28 -176.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.93 147.12 49.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 38' ' ' ASP . 76.7 m-20 62.08 29.85 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 38.1 t -131.66 143.33 48.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.78 150.85 90.87 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.304 0.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.86 118.25 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -82.68 124.67 30.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 102' ' ' MET . 77.3 mt -126.84 139.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 101' ' ' ILE . 5.4 tpt -104.99 117.4 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.62 135.53 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.24 161.04 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.06 118.71 29.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -39.54 120.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' ILE . 21.2 tt0 -64.18 106.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 mt 34.05 45.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.66 -160.63 39.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.8 p -39.52 134.11 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 142.61 7.05 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 -46.67 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.394 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -154.84 161.8 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.6 t -102.91 90.0 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -63.99 -45.46 88.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -77.73 161.66 27.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.27 -173.99 40.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -106.45 164.45 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -163.67 143.95 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.45 153.1 24.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.441 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.4 pt -45.73 149.4 1.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 178.04 4.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.51 -138.44 2.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -127.43 143.59 47.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.88 37.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.617 2.211 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.7 104.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.9 m -135.39 108.16 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 156.37 38.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -95.79 164.4 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.92 127.74 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -51.72 146.68 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -162.92 165.42 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -100.97 160.03 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -91.06 28.84 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.18 -56.39 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -93.55 168.4 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -61.21 139.69 58.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -88.67 136.41 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -99.37 122.06 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.23 148.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -83.18 104.01 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 79' ' ' GLU . 12.0 tp -58.63 121.38 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.87 47.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 m -144.75 121.29 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.42 115.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.54 135.45 55.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.95 154.1 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CE2' HG21 ' A' ' 101' ' ' ILE . 57.8 m-85 -137.83 122.74 18.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.3 tp -89.47 116.54 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -125.01 145.0 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.14 96.7 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.82 126.09 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -63.13 -10.57 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -104.29 125.47 50.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 p -89.34 -61.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.8 106.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 64' ' ' LYS . 2.5 mp -73.31 -47.62 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.4 m -43.98 -59.38 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -53.7 -22.98 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.1 mt -97.68 161.78 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -109.36 157.73 18.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -133.96 123.24 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -148.5 139.44 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 52' ' ' LYS . 57.3 mt -145.43 138.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.457 ' N ' HG21 ' A' ' 51' ' ' ILE . 2.7 ttpm? -147.97 121.99 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -48.39 167.64 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.68 -15.38 37.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -87.78 -1.6 58.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.35 19.82 40.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -60.84 163.37 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 58' ' ' ASP . 10.9 mm-40 -141.3 141.07 22.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 93.11 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 28.5 p -105.55 147.78 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -143.8 122.31 12.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 44' ' ' LEU . 12.4 mt -79.97 127.19 31.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' C ' HD21 ' A' ' 44' ' ' LEU . 4.1 ptmt -144.0 176.88 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -93.42 143.48 26.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 72' ' ' GLY . 89.0 mt -97.22 152.43 38.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.569 0.7 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.298 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.3 m120 -74.89 59.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASN . 10.9 t-20 34.16 42.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 31.7 m-70 -143.78 -174.99 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 72' ' ' GLY . 35.0 mt -143.68 137.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' HG ' ' A' ' 66' ' ' LEU . . . -146.63 -175.22 19.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 7.4 tt -111.44 151.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.78 109.28 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -142.19 164.18 30.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 45.5 mt -110.7 105.87 57.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 55.0 Cg_endo -69.65 128.89 16.78 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.46 -7.59 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' N ' HD13 ' A' ' 29' ' ' LEU . 5.6 mm-40 -140.32 177.97 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 105' ' ' GLN . 18.0 m -125.25 140.66 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.26 -137.38 6.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -107.91 102.37 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -90.29 143.15 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.41 120.64 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 87' ' ' ILE . 17.8 t -99.67 125.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 m -90.52 107.28 19.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 85' ' ' VAL . 16.7 mm -118.42 109.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 11.9 mttt -130.16 172.43 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -125.21 106.08 9.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 61.42 28.82 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.8 15.64 45.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' HIS . 68.5 m-80 -129.35 101.46 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 25.5 m-70 -35.22 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.8 m -107.76 -176.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.74 146.81 51.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 62.31 30.15 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.533 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 37.3 t -132.48 142.23 44.15 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.704 0.764 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.83 161.04 87.19 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.621 -1.825 . . . . 0.0 112.402 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.3 138.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -102.62 110.72 22.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.493 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.6 mt -110.77 146.67 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.443 ' N ' HG22 ' A' ' 101' ' ' ILE . 6.5 tpt -110.55 117.19 32.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.7 t -108.8 140.87 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.7 144.91 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' HG11 ' A' ' 80' ' ' VAL . 31.3 mt-30 -65.17 98.15 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.3 m -52.73 -64.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 68.91 39.69 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.0 mm -117.24 119.96 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -149.42 116.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.45 101.12 11.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.3 p -71.08 102.01 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.82 74.39 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.86 12.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.292 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -102.84 80.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.2 t -78.15 121.3 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.31 127.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -69.32 117.27 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 64.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -160.96 169.11 23.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -91.69 3.87 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.55 55.52 24.62 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.557 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -71.94 148.03 91.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.47 -132.54 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -134.04 141.73 40.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.76 2.307 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -113.6 -51.94 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.6 p -82.6 139.87 33.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.97 97.34 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -40.22 109.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.0 pt -62.35 -22.75 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.05 43.94 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -114.91 -53.54 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -55.41 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.5 p 52.94 26.93 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -71.21 179.43 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 24' ' ' CYS . 4.8 tmm_? -80.14 134.5 36.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 21.3 p -160.03 136.78 9.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.3 m -120.44 128.98 53.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -94.42 115.94 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.29 153.24 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -92.67 137.43 32.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 HD11 ' CA ' ' A' ' 79' ' ' GLU . 8.1 tp -79.49 140.97 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.71 76.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -137.3 135.52 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 107.59 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.93 140.0 49.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.97 158.3 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 75' ' ' PHE . 94.1 m-85 -136.41 123.12 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -93.35 104.78 16.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -115.79 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -90.98 101.39 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 pt -128.23 137.11 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -84.24 34.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -130.17 118.81 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 43' ' ' ASP . 6.6 t -93.06 -44.46 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 42' ' ' THR . 8.2 t0 -51.72 113.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.97 -60.56 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -46.81 -50.54 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -52.8 -34.24 52.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.45 160.93 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 m -114.16 157.0 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.4 119.45 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -152.16 138.37 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.0 mt -137.93 132.89 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -134.37 103.1 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.84 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.278 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -96.72 9.02 42.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.05 62.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.403 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -100.14 115.47 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 155.09 34.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -139.02 143.69 38.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 101.01 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.9 p -108.2 145.08 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.66 128.16 19.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 mt -92.42 132.15 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -142.09 170.26 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -95.55 129.15 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.409 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 70.7 mt -100.02 153.85 37.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 176.68 6.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m120 61.24 28.36 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.8 47.95 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.409 ' C ' ' HB2' ' A' ' 66' ' ' LEU . 8.6 m-70 -133.28 167.49 20.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mt -144.04 144.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.14 164.82 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.2 tt -104.69 153.51 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 m -124.7 124.82 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 35' ' ' PHE . 12.8 p90 -159.28 161.25 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.6 mt -108.77 109.14 61.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.81 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.736 2.29 . . . . 0.0 112.319 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -89.73 -18.76 25.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' CA ' HD11 ' A' ' 29' ' ' LEU . 5.3 mp0 -132.36 164.14 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.7 m -108.95 138.85 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.0 -146.13 15.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -100.9 100.01 10.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -87.34 141.99 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.15 116.1 27.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 87' ' ' ILE . 9.6 t -94.72 112.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -79.0 110.17 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CD1' HG13 ' A' ' 85' ' ' VAL . 20.4 mm -121.21 117.48 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 12.5 mttt -135.54 171.15 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -122.56 109.69 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.809 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 55.88 28.41 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.16 17.83 33.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 70.9 m-80 -130.49 99.08 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 10.5 m-70 -35.55 141.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.0 m -101.34 -178.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.38 147.82 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 61.16 26.72 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 42.8 t -125.59 142.51 42.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 0.0 110.798 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.33 131.36 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -94.26 117.89 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 102' ' ' MET . 84.0 mt -121.25 145.01 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.4 ' N ' HG21 ' A' ' 101' ' ' ILE . 6.4 tpt -108.6 120.35 42.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.9 t -115.59 133.98 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.15 136.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -85.13 98.12 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.9 t -56.68 100.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.56 86.61 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.01 -29.1 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.94 -137.78 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.494 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.08 169.63 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 t -115.58 -52.28 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.34 -164.16 13.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 114' ' ' SER . 52.6 Cg_endo -69.81 -42.04 3.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.28 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 113' ' ' PRO . 25.8 t -34.69 107.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m -99.81 157.12 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -87.3 174.43 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.807 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m 60.98 43.49 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 128.18 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -71.53 148.33 46.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -131.55 102.65 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.96 121.65 5.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.7 pt -56.6 144.3 65.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.65 9.23 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.744 2.296 . . . . 0.0 112.336 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.72 31.92 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.8 t 65.07 54.79 1.19 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.611 0.72 . . . . 0.0 110.788 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 11' ' ' SER . 54.9 Cg_endo -69.74 -40.94 4.75 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -156.59 146.36 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -109.78 90.55 3.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.81 117.53 16.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 152.5 40.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 18' ' ' THR . 66.4 mt -155.23 148.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.442 ' N ' HG23 ' A' ' 17' ' ' ILE . 62.7 p -112.16 91.7 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.57 -62.38 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.46 -53.71 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t 71.14 29.48 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -86.09 -179.05 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 122.72 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -174.75 168.0 3.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -122.92 103.16 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.33 128.97 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.2 t -140.17 156.89 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -88.03 115.86 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.82 131.3 44.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.85 51.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.423 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -152.67 127.85 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 112.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.17 144.11 46.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.9 151.03 26.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 75' ' ' PHE . 90.8 m-85 -132.23 112.65 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -83.98 123.13 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.58 136.01 38.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -83.82 99.88 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 pt -133.19 136.07 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 m -81.71 44.28 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.67 132.0 51.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 22.6 p -109.73 -69.57 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 17.8 m-20 -35.37 123.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -88.16 -57.19 3.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 p -53.95 -48.0 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -54.46 -26.6 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 43' ' ' ASP . 23.7 mt -98.48 164.18 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.51 146.37 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.21 124.4 43.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -150.92 138.91 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mt -137.12 134.12 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -134.24 103.05 5.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -44.45 169.37 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.75 -17.08 37.83 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -98.94 10.81 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.59 20.15 74.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -94.85 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.06 148.26 52.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 75' ' ' PHE . 77.6 mt-10 -130.83 143.1 47.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 90.34 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.784 2.322 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.1 p -99.4 146.17 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.81 139.25 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.0 mt -93.26 132.94 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -144.91 154.95 43.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -86.68 132.07 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.8 mt -100.03 153.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.99 22.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 69.7 25.78 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.54 50.36 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' HG13 ' A' ' 71' ' ' ILE . 8.0 m-70 -134.4 166.06 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 70' ' ' HIS . 55.1 mt -144.99 144.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.49 174.95 32.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.9 tt -109.84 148.3 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.37 120.67 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 9.2 p90 -154.44 152.48 30.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.2 mt -97.76 104.72 22.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.686 0.755 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.47 17.63 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -99.3 -26.55 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -129.94 167.82 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 105' ' ' GLN . 33.8 m -112.22 144.5 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.09 -141.44 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -103.03 100.61 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -89.97 142.53 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -116.29 114.8 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 87' ' ' ILE . 4.8 t -95.42 120.71 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -87.3 111.52 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 85' ' ' VAL . 19.9 mm -120.36 116.78 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -135.73 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -125.18 104.2 8.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 62.06 26.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.44 17.66 30.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 67.8 m-80 -130.97 101.09 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -35.64 147.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.84 -176.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 145.28 45.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 64.68 28.62 13.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 27.8 t -126.98 144.51 50.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.83 157.66 92.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.319 0.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -80.65 116.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.7 p -82.0 115.12 21.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.8 mt -120.44 141.75 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 tpt -109.96 119.72 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.6 137.21 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.3 143.37 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.465 ' N ' HG13 ' A' ' 80' ' ' VAL . 12.2 mt-30 -61.91 109.98 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 t -121.12 102.38 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -101.46 136.09 41.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mm -86.31 -57.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.94 -159.64 27.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.85 122.21 4.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.5 m 46.58 44.29 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.12 -158.0 34.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.65 9.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.6 m -101.47 86.65 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.3 p 42.49 42.83 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.514 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -152.09 156.3 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -60.2 -46.9 88.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.89 -140.6 3.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p -90.13 118.21 29.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -115.3 -59.21 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.56 123.84 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 pt -78.68 145.94 68.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 108.68 2.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.33 127.52 2.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 m -59.35 143.49 85.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -172.44 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' THR . 14.5 t80 -85.85 149.0 25.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' PHE . 25.3 m -33.97 -67.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.38 140.98 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -114.36 -31.22 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -63.68 143.29 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 19' ' ' ASP . 54.6 m -53.24 147.35 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 18' ' ' THR . 28.5 t0 -35.85 -63.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 22' ' ' ARG . 21.2 m-20 -99.38 174.44 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.25 41.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -95.4 177.89 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -128.51 145.18 51.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.0 p -154.6 126.73 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -76.95 126.75 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 106' ' ' SER . 19.9 tt0 -75.51 116.81 16.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.79 154.12 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.25 123.58 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 79' ' ' GLU . 7.5 tp -66.23 131.37 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.42 24.01 66.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -144.45 121.65 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 117.34 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.1 152.73 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -91.26 148.81 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 96.2 m-85 -130.81 123.52 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 tp -89.04 111.98 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 99' ' ' VAL . 2.0 pt? -118.33 133.51 55.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.23 100.52 7.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.74 120.67 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -63.48 -8.34 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' CB ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.48 120.9 40.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 43' ' ' ASP . 59.0 m -91.96 -59.63 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -34.89 109.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD21 ' CA ' ' A' ' 64' ' ' LYS . 5.4 mp -71.88 -58.28 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.4 m -43.12 -57.59 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -48.99 -32.38 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 41' ' ' GLU . 58.8 mt -97.89 161.23 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 m -111.89 165.33 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' CB ' HD11 ' A' ' 63' ' ' LEU . . . -132.45 121.68 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -151.02 143.73 24.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -142.75 137.94 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 24.2 tptt -132.57 105.23 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.76 169.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 111.078 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.7 Cg_endo -69.77 -17.56 37.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.47 5.73 50.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 22.56 59.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.87 113.32 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.58 159.63 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -141.76 143.36 28.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.69 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.453 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 13.3 p -98.28 145.49 26.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 49' ' ' ALA . 6.7 mt -74.65 131.58 41.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' CA ' HD21 ' A' ' 44' ' ' LEU . 10.4 ptmm? -142.14 170.46 15.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -91.37 143.4 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.8 mt -114.95 155.04 46.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.276 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.48 25.38 14.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.35 44.45 5.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -129.05 173.62 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 72' ' ' GLY . 58.4 mt -144.1 147.14 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -158.32 173.86 35.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 7.8 tt -107.58 158.19 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -130.62 112.64 13.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.583 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.0 p90 -147.59 158.18 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.5 mt -101.64 98.56 9.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 54.2 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.23 -23.36 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' C ' HD12 ' A' ' 29' ' ' LEU . 7.0 mp0 -123.11 172.99 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.97 153.3 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 138.62 -136.14 7.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -111.74 99.88 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.26 137.49 33.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 mt -106.87 114.37 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 t -93.96 117.34 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -86.65 107.04 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.9 mm -116.38 115.47 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -131.69 172.78 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.91 104.66 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.33 26.25 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.45 16.99 37.97 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' HIS . 69.3 m-80 -130.23 100.4 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 15.6 m-70 -34.47 141.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.72 -176.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.23 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 70.63 27.16 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.535 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.0 t -128.55 143.17 47.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.6 Cg_endo -69.73 156.92 92.48 Favored 'Cis proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.348 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 37' ' ' LEU . 41.0 t -88.62 122.57 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 m -80.8 129.98 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 89.5 mt -127.65 154.65 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.3 tpt -119.34 125.68 49.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.87 133.96 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.8 151.27 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -82.98 83.11 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.409 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 65.2 p -70.98 105.41 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -116.79 104.48 11.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 mm -126.58 138.29 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 69.66 119.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -47.32 61.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.1 p -80.35 166.0 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.54 178.67 36.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.43 9.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.631 2.22 . . . . 0.0 112.385 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.2 t -69.12 132.04 45.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.9 p -112.93 -7.75 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -99.5 170.96 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.9 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 p -111.65 -45.24 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.89 162.04 14.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -108.79 150.29 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -106.02 122.77 46.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.64 88.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -48.01 149.45 2.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 111.133 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 113.4 3.35 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 -171.68 18.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -109.76 84.13 3.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 175.95 7.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -79.94 -52.36 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -105.82 144.67 32.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.08 179.71 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.69 110.34 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.7 mt -81.69 -24.25 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 t -103.31 127.51 50.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -113.2 153.56 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.68 -51.04 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 58.13 42.6 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -63.73 -60.07 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 13.5 ttp-105 -111.01 -59.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.73 129.65 56.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 m -77.8 116.04 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -73.99 121.81 21.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.68 153.25 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -93.49 113.79 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.5 tp -62.62 151.12 38.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.45 17.39 53.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -137.91 119.44 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.63 140.03 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.68 156.38 27.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 101' ' ' ILE . 80.7 m-85 -140.52 118.36 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -93.39 115.96 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -123.53 141.3 52.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.02 97.23 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.98 131.18 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 44.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CB ' HD13 ' A' ' 47' ' ' LEU . 78.1 mm-40 -133.36 118.18 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -109.56 34.86 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 5.3 m-20 -126.9 79.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.91 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -41.73 -57.19 2.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 50.3 m -44.7 -36.11 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 41' ' ' GLU . 56.8 mt -90.02 163.66 14.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.15 146.91 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.11 121.88 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -148.02 125.35 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 52' ' ' LYS . 62.5 mt -130.01 145.3 35.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 51' ' ' ILE . 4.8 ttpm? -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . . . -45.44 168.65 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.79 -14.52 36.11 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.608 2.206 . . . . 0.0 112.383 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -89.31 -0.83 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.77 20.43 50.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -102.27 115.4 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.376 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.7 144.08 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -122.14 143.84 40.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 98.83 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.6 p -112.07 145.17 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.37 121.31 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 62' ' ' LEU . 13.5 mt -80.83 137.65 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -145.35 159.7 42.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -89.63 118.06 28.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.1 mt -88.76 154.29 50.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 178.79 4.25 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.733 2.289 . . . . 0.0 112.278 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 59.48 30.48 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 59.29 48.97 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -133.9 159.71 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.3 mt -145.08 136.51 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.75 -173.56 16.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.411 HD13 ' CD1' ' A' ' 51' ' ' ILE . 17.1 tt -117.38 147.38 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -125.06 120.29 31.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.414 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.4 p90 -150.95 172.41 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 67.0 mt -118.13 100.46 51.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.69 132.4 23.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.758 2.305 . . . . 0.0 112.347 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.49 -2.73 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' N ' HD11 ' A' ' 29' ' ' LEU . 56.6 mt-10 -141.49 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.2 m -118.61 144.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.2 -141.38 10.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -105.99 101.39 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 17.1 m80 -87.75 142.22 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.17 117.16 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 87' ' ' ILE . 14.6 t -98.41 113.61 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -82.56 109.9 17.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 85' ' ' VAL . 33.6 mm -117.42 112.25 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -131.0 172.33 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.431 ' HG2' ' ND2' ' A' ' 90' ' ' ASN . 21.0 ttmt -127.34 106.07 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 89' ' ' LYS . 69.5 m-20 62.45 27.67 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.85 17.55 37.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.89 103.32 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -39.7 144.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.67 -178.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.2 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 59.21 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.549 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 36.6 t -131.8 143.38 48.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.5 Cg_endo -69.77 153.91 93.13 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 -1.786 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 t -86.15 118.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -80.48 135.94 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 35' ' ' PHE . 74.0 mt -133.75 143.92 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 tpt -105.29 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.15 125.92 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.81 152.97 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -83.46 89.11 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.2 m -48.87 117.42 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.77 154.97 16.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.54 -62.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 150.23 -43.44 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 163.41 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.53 148.3 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.89 173.6 13.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.92 16.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 p -171.01 129.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -160.07 148.88 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -88.28 -47.39 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -102.03 158.4 16.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.02 89.94 2.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -133.22 129.73 38.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 m -82.28 -52.44 6.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -96.07 127.63 9.24 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.521 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -34.26 148.99 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 172.38 12.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.55 45.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 t -126.86 88.61 54.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.46 32.08 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -83.99 74.39 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.0 p -128.15 -178.64 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.36 145.36 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 -17.27 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -60.14 147.62 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -110.32 157.74 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.97 -44.55 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.42 -53.58 35.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.4 m 56.15 44.71 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.79 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.6 118.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.1 p -146.17 154.08 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.9 m -111.44 142.36 43.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -106.35 127.88 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.17 151.43 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -89.15 110.16 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 79' ' ' GLU . 13.4 tp -64.7 126.02 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.99 24.9 39.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m -150.44 132.31 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.05 138.69 53.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.9 151.11 31.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 101' ' ' ILE . 83.8 m-85 -135.97 127.64 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -93.77 108.47 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -107.5 131.37 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.06 98.71 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.5 pt -133.57 153.24 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.411 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 43.4 m -106.88 32.72 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.8 mp0 -119.9 127.85 53.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -91.98 -44.06 9.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.81 133.77 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 64' ' ' LYS . 3.3 mp -102.16 -56.49 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -51.54 -49.31 62.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 m -58.1 -17.77 20.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 167.91 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -121.32 159.04 26.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -140.2 120.42 13.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.036 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -149.23 134.91 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.6 mt -131.17 134.14 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.7 tptt -132.99 104.54 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.18 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.77 -17.76 37.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -96.77 8.17 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.14 24.62 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.24 114.57 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.91 156.55 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -137.25 143.72 42.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.72 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 p -93.69 144.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.19 131.89 31.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -92.14 135.83 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 10.2 ptpt -143.85 172.01 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -98.07 123.43 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.1 mt -93.9 154.28 40.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 60.78 33.32 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.84 49.17 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -134.46 166.79 22.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.0 mt -141.11 143.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.39 166.83 31.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.9 tt -103.71 159.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -136.27 116.09 13.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 5.9 p90 -147.88 158.97 44.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -103.0 95.78 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.0 Cg_endo -69.82 132.7 23.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.47 -16.72 16.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' C ' HD12 ' A' ' 29' ' ' LEU . 2.0 tt0 -125.63 167.04 15.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.3 m -117.67 135.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.84 -142.42 9.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.98 111.71 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -104.87 132.65 50.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.23 115.37 30.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.3 112.72 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.79 113.26 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.6 mm -126.67 118.65 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 19.8 mttt -135.34 172.63 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -124.69 104.0 8.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 64.08 27.59 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.99 16.82 39.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' HIS . 79.0 m-20 -130.78 102.23 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.9 m-70 -34.44 141.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.7 m -104.71 174.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.9 144.73 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 63.67 33.58 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 33.2 t -137.82 143.61 40.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.82 157.98 91.65 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.288 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.0 t -85.68 125.43 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.0 p -90.06 109.72 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 102' ' ' MET . 56.5 mt -112.97 142.72 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.441 ' N ' HG21 ' A' ' 101' ' ' ILE . 16.9 tpp -109.08 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.22 136.94 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.1 170.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -99.72 115.94 30.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.5 p -89.31 116.75 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.79 139.93 53.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.9 mt -96.55 -43.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -100.86 80.45 0.45 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.471 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -77.01 172.49 13.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.69 162.39 20.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.4 53.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 m -110.05 113.47 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 m -45.4 -64.24 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -130.39 115.72 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -99.03 87.32 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.12 96.41 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -87.21 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -109.02 149.8 28.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 154.17 16.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.8 pt -65.14 147.78 98.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 111.203 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 103.07 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.417 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.81 52.91 0.82 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.1 m -47.85 -60.06 4.83 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.73 . . . . 0.0 110.94 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' SER . 53.4 Cg_endo -69.84 176.17 7.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -139.41 138.31 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -115.95 130.18 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.13 114.98 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -133.6 116.09 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 pt -57.17 142.44 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -171.89 141.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -174.99 133.44 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.32 148.87 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -92.21 47.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -115.48 166.56 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -46.1 -41.22 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.7 p -111.67 125.0 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -80.21 159.68 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -120.71 129.26 53.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG21 ' CE2' ' A' ' 35' ' ' PHE . 3.0 t -141.79 155.76 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -85.1 131.04 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD11 ' C ' ' A' ' 79' ' ' GLU . 4.2 tp -82.53 133.02 35.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.83 6.89 87.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -129.86 120.58 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.45 116.1 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.51 49.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.15 144.7 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 101' ' ' ILE . 51.5 m-85 -122.59 113.52 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -83.96 105.69 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.04 144.67 48.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -90.85 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.59 120.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -82.39 43.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -131.14 116.15 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.6 p -96.35 -175.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LEU . 6.2 m-20 70.45 49.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 65' ' ' ARG . 2.9 mp -37.73 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -56.81 -51.41 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -57.13 -23.96 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.3 mt -94.85 160.74 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.54 153.61 22.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.36 123.63 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.041 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t -149.6 139.75 22.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -142.24 135.14 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -136.32 121.59 19.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -62.68 167.14 6.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -97.9 9.89 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.19 23.05 72.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -105.1 108.74 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.19 35.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 10.8 mp0 -131.4 141.06 40.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.696 0.76 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 p -108.8 145.64 34.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.36 123.44 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 mt -77.5 131.59 37.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.97 151.48 38.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' N ' HD22 ' A' ' 44' ' ' LEU . 13.0 tpt180 -78.55 147.98 33.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.1 mt -119.83 155.02 55.37 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 69.04 30.08 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 57.67 49.62 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -137.01 173.3 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.0 mt -141.12 152.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.63 156.42 27.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.31 146.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -117.3 114.5 23.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 13.7 p90 -148.62 162.27 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.0 mt -109.51 105.33 57.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.8 115.38 4.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -79.46 -17.78 53.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' C ' HD11 ' A' ' 29' ' ' LEU . 4.5 mm-40 -141.09 -177.27 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.88 145.76 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.1 -142.32 11.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -100.4 101.73 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.46 141.17 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.83 114.5 26.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.09 113.58 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -83.66 112.95 20.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.7 mm -121.97 117.6 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -135.91 172.45 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.07 108.35 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 60.21 26.97 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.91 17.41 35.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' HIS . 74.4 m-20 -130.35 102.88 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 11.4 m-70 -36.41 151.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.0 m -113.27 -179.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.98 149.79 50.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 56.86 35.54 26.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.534 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.0 t -135.49 142.55 41.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.76 151.96 91.88 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.292 0.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.0 120.58 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.5 p -82.24 131.23 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.546 HG21 ' CE2' ' A' ' 35' ' ' PHE . 80.4 mt -129.53 143.73 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.444 ' N ' HG23 ' A' ' 101' ' ' ILE . 6.7 tpt -108.09 117.58 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.59 133.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.14 135.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.95 134.38 51.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -113.52 167.32 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -120.97 115.74 23.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.81 -60.28 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 85.41 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.491 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -157.49 152.6 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.0 t -123.23 124.61 43.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.26 68.61 0.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.573 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.42 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 m -138.38 161.88 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.5 m -65.0 -58.21 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -98.4 109.22 22.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -80.78 -56.74 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.96 -72.01 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -63.14 106.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -156.17 131.89 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.794 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.18 93.15 2.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 pt -90.69 150.69 42.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 179.97 3.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 38.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.488 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -69.5 -60.26 4.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.75 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' SER . 52.9 Cg_endo -69.77 -24.54 29.49 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.244 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -70.68 -179.97 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 m -38.27 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.41 165.11 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -65.07 -47.21 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -135.72 122.1 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -67.92 135.29 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.86 150.03 20.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 -42.71 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.8 m 50.89 44.64 28.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -96.68 172.19 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -113.05 46.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -160.35 150.44 18.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -114.46 133.75 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HA ' ' CG2' ' A' ' 104' ' ' VAL . 11.1 tt0 -81.68 135.94 35.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.26 149.44 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.75 118.82 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . 28.8 tp -80.13 120.63 24.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.11 14.39 45.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -142.58 147.43 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.52 138.75 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -93.48 140.97 28.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 48.5 m-85 -124.06 108.49 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tp -85.99 114.88 23.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -126.55 139.02 53.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.07 103.34 13.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -129.62 146.98 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 t -84.84 34.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -133.12 133.46 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.7 m -116.04 -56.89 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.4 m-20 -38.6 98.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -59.66 -61.55 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -48.14 -47.63 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 17.4 m -54.27 -32.62 56.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -93.31 172.63 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -132.44 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.78 122.16 38.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -146.67 137.23 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -137.43 132.25 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' ALA . 5.3 tptm -126.87 101.14 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.61 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.75 -15.34 37.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.5 p -97.65 7.68 46.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.36 15.77 79.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.03 122.39 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.39 153.05 44.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -129.16 143.82 50.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.607 2.205 . . . . 0.0 112.311 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 p -90.08 145.71 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.1 120.61 11.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.3 144.15 28.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -148.44 178.09 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 115.57 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 95.7 mt -84.06 153.79 63.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 175.21 8.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.617 2.212 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.0 m120 62.02 30.1 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 61.8 41.73 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 4.1 m-70 -123.21 157.89 32.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 72' ' ' GLY . 43.8 mt -145.1 135.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -148.57 -170.9 16.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 tt -110.08 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -134.8 108.58 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.2 p90 -145.05 161.61 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.84 102.11 46.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.16 27.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -103.27 -12.47 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -133.89 162.37 32.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -113.1 143.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.22 -135.07 5.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -103.96 104.57 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -99.63 128.28 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.6 120.36 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG1' HD11 ' A' ' 87' ' ' ILE . 23.9 t -99.96 114.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.93 111.26 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 85' ' ' VAL . 16.1 mm -119.5 119.49 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -137.31 172.0 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -127.08 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 58.54 26.08 13.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.74 33.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.8 m-80 -130.83 101.77 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.4 m-70 -34.65 145.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.24 179.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.57 145.44 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 65.1 29.12 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.4 t -131.31 142.79 46.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.77 147.17 84.13 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.287 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.98 119.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.2 p -84.56 119.36 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 102' ' ' MET . 40.6 mt -125.93 141.91 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.44 ' N ' HG23 ' A' ' 101' ' ' ILE . 5.9 tpt -106.8 116.89 32.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.8 131.99 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 26' ' ' GLN . 11.2 m -135.69 171.86 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 29' ' ' LEU . 1.9 mm-40 -100.45 125.29 46.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -83.23 156.64 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 2.4 pp20? -110.32 120.6 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -174.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 110' ' ' ASP . . . -178.44 -132.6 1.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLY . 3.6 m-20 -35.09 -48.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 t -124.23 123.21 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.12 -96.97 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.56 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.35 11.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.6 p -139.92 118.68 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.0 m -98.73 176.07 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -128.15 122.38 31.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -114.18 107.05 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.9 -59.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -159.11 144.83 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -128.63 143.07 50.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.36 55.04 2.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.56 145.68 4.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.082 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 151.88 68.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.608 2.205 . . . . 0.0 112.387 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.09 121.05 3.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.541 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -134.13 130.37 20.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.876 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 167.86 23.15 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -114.1 -53.87 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -94.93 127.8 41.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.78 94.24 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -114.3 -54.19 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.21 125.14 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -164.32 153.85 13.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.04 112.95 7.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.74 -46.73 13.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 57.14 34.31 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -118.03 163.31 16.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -84.71 -41.83 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.6 m -75.34 146.37 40.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.6 m -71.2 142.91 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -101.19 128.41 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 28' ' ' LYS . 23.7 t -137.15 155.96 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -93.04 114.85 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 78' ' ' ARG . 13.7 tp -79.18 113.71 17.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.92 13.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 76' ' ' ILE . 3.9 t -152.02 145.19 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.6 107.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.21 128.9 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -86.44 135.4 33.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 94.9 m-85 -119.44 122.95 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.27 117.76 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -128.49 158.28 38.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.18 97.91 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -120.73 148.27 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -89.91 31.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -126.04 120.29 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 43' ' ' ASP . 15.1 t -92.78 -46.76 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' N ' ' CG2' ' A' ' 42' ' ' THR . 1.1 m-20 -48.75 126.22 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD23 ' CA ' ' A' ' 64' ' ' LYS . 1.7 mt -90.3 -59.68 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -58.59 -45.44 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 42.8 m -54.39 -18.96 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.0 mt -101.59 164.65 11.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -114.44 150.32 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.31 116.6 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t -147.99 144.58 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.3 mt -143.89 134.85 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -133.83 103.58 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.06 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.9 Cg_endo -69.74 -17.99 37.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -96.07 8.09 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 21.44 61.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -98.69 120.97 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.45 146.0 41.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -125.87 144.05 47.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.13 144.84 29.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.83 120.15 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.61 134.29 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CA ' HD23 ' A' ' 44' ' ' LEU . 11.4 ptmm? -140.95 177.43 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.65 121.51 44.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 96.0 mt -90.64 153.64 45.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 173.96 10.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 t-20 65.28 27.54 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 62.78 44.87 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 8.2 m-70 -129.56 160.23 33.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 72' ' ' GLY . 96.6 mt -145.02 140.6 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -151.59 -177.24 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.55 150.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -127.47 110.65 12.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -146.96 160.38 42.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' SER . 7.6 mt -104.5 100.66 23.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' HD12 ' A' ' 29' ' ' LEU . 9.9 tpt180 -92.16 -34.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.818 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 7.6 tp10 -111.42 153.78 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 26.8 m -103.73 141.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.29 -136.76 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -104.55 104.79 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -96.94 136.76 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -107.44 116.25 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 98' ' ' PRO . 13.4 t -94.74 114.27 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 m -82.68 108.65 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.0 mm -120.46 113.95 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 23.1 mttt -132.71 173.63 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -131.35 111.99 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 90' ' ' ASN . 1.1 m-80 61.12 28.94 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.75 17.48 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' HIS . 73.8 m-20 -130.87 102.64 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' ASN . 10.7 m-70 -34.11 143.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.27 178.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.03 139.45 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 69.09 28.54 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 11.1 t -128.45 146.51 60.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.78 159.21 90.11 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.334 0.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.17 122.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -84.44 118.9 24.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 35' ' ' PHE . 82.2 mt -122.05 145.03 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.432 ' N ' HG22 ' A' ' 101' ' ' ILE . 7.0 tpt -108.0 118.04 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -104.72 137.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.81 153.38 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -77.97 120.7 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 p -66.42 149.19 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -126.67 137.96 53.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -100.49 124.66 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.4 63.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.413 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -100.73 108.78 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.1 p -67.79 132.82 48.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.41 70.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.414 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.81 15.79 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' SER . 30.8 p -58.66 128.4 36.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.7 m 35.51 47.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 53.96 41.28 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -96.3 140.25 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.12 43.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 m -47.26 143.35 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -101.05 -54.43 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.45 164.14 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 pt -44.79 145.27 1.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 85.28 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.08 128.68 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 p -106.27 88.24 3.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.743 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -4.73 14.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.68 116.72 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.2 p -138.96 168.85 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.36 122.98 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.67 121.25 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 pt -86.11 42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -162.47 140.04 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.6 120.44 8.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -79.58 151.78 30.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.4 m -88.68 41.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -93.0 167.3 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -99.16 -48.24 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.5 m -38.67 111.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.9 m -82.65 128.08 34.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CG ' ' HB3' ' A' ' 106' ' ' SER . 25.4 tt0 -87.08 138.07 31.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.439 ' C ' ' HD3' ' A' ' 28' ' ' LYS . 5.6 t -137.47 167.21 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 1.8 mppt? -104.8 118.81 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 78' ' ' ARG . 9.8 tp -69.66 112.38 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.03 6.98 29.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -139.29 133.14 30.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 117.33 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -114.78 155.28 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.44 152.81 18.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 64.6 m-85 -133.42 114.97 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 66' ' ' LEU . 6.8 tp -86.47 118.3 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -133.23 135.36 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -81.95 102.71 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.13 140.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.4 m -80.01 47.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.71 114.54 12.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -93.84 -27.3 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -76.81 140.94 40.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -102.7 -58.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -52.23 -43.45 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 m -59.22 -25.63 64.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.6 mt -92.75 170.0 10.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -119.13 151.36 38.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.2 116.89 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -150.18 131.72 14.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 52' ' ' LYS . 45.8 mt -140.82 152.28 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 51' ' ' ILE . 24.7 ttpt -159.05 121.14 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -47.8 168.32 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 111.04 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -15.52 37.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -88.66 -1.13 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.35 20.56 41.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -103.7 111.19 23.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 161.09 1.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -141.44 143.96 32.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.0 p -108.56 137.93 45.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.18 119.89 17.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.69 130.72 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.72 166.22 24.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' NH2' ' HA ' ' A' ' 69' ' ' ASN . 12.2 tpt180 -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.433 ' CD1' HD13 ' A' ' 36' ' ' LEU . 92.1 mt -104.85 154.46 38.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.9 11.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 6.8 m-20 61.38 41.26 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 11.5 t-20 49.6 49.91 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 33.6 m-70 -133.14 163.08 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 72' ' ' GLY . 46.6 mt -144.32 142.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 71' ' ' ILE . . . -151.55 169.48 31.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.407 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -105.23 154.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 t -131.03 122.67 27.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.3 p90 -152.62 159.52 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -102.61 100.92 17.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.8 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' C ' HD13 ' A' ' 29' ' ' LEU . 5.9 tpt180 -87.62 -30.14 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -120.1 171.34 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 m -115.4 142.48 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.99 -142.83 10.94 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -102.75 103.98 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.46 116.39 28.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 87' ' ' ILE . 10.6 t -96.94 112.66 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -83.9 106.89 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CD1' HG12 ' A' ' 85' ' ' VAL . 13.5 mm -118.53 114.23 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -130.93 172.97 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -126.88 105.29 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 60.38 28.13 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.95 17.63 34.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -130.65 102.67 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.62 143.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.09 -178.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 146.74 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 62.71 27.75 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 30.1 t -128.98 144.18 51.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 145.29 79.19 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.603 -1.832 . . . . 0.0 112.355 0.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.44 124.96 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.8 p -87.49 131.78 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.535 HG22 ' CE2' ' A' ' 35' ' ' PHE . 84.5 mt -128.48 146.39 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.9 tpt -111.31 118.91 37.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.53 131.21 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.49 143.71 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -67.08 87.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 75.1 p -93.96 85.63 4.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -97.55 117.96 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.9 mt -91.77 -53.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.48 51.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.85 112.99 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.816 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.9 t -122.17 108.21 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -154.91 166.89 32.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 159.56 52.99 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 p -105.44 13.43 30.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 t -167.91 107.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -107.1 134.51 50.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -60.49 -47.56 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.67 73.94 0.84 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -109.0 82.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -151.48 158.21 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -177.15 46.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -44.51 142.81 2.28 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.554 0.692 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 116.87 4.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.61 -75.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -162.24 148.34 10.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.87 32.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -130.3 139.87 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.5 p -90.73 -47.34 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.72 120.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -99.54 134.41 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 17' ' ' ILE . 3.1 mp -107.45 -38.05 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -145.31 122.52 11.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.91 115.46 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -41.36 161.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -112.23 41.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -99.77 172.92 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -101.0 -49.92 3.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -40.58 114.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 m -95.11 101.84 13.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.3 134.78 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 t -129.78 162.65 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -96.32 105.93 18.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 79' ' ' GLU . 15.5 tp -59.09 139.39 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.67 21.58 78.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -147.88 127.81 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.13 130.66 39.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.34 39.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.52 151.02 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 35.5 m-85 -135.49 112.04 9.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 tp -88.78 124.51 34.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -80.68 99.4 8.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -125.6 137.83 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -84.22 37.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -133.06 124.13 27.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' ASP . 17.7 p -90.15 -64.9 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-20 -35.41 125.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 64' ' ' LYS . 1.7 mt -83.75 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 t -53.38 -43.47 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 7.4 m -55.88 -23.67 32.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.6 mt -99.84 166.85 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 m -126.07 160.56 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' CB ' ' HG ' ' A' ' 63' ' ' LEU . . . -135.72 124.72 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -150.18 135.12 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG1' HG11 ' A' ' 85' ' ' VAL . 65.9 mt -142.96 140.97 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -140.13 114.21 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' N ' ' OE2' ' A' ' 59' ' ' GLU . . . -44.48 169.47 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -16.4 37.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -91.74 2.94 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.65 8.87 72.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -89.27 110.31 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 141.87 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 53' ' ' ALA . 39.2 mp0 -114.69 142.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.74 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 93.43 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 29.8 p -104.05 149.19 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -144.99 127.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 49' ' ' ALA . 8.9 mt -78.01 135.09 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' C ' HD23 ' A' ' 44' ' ' LEU . 13.6 ptmt -141.85 175.24 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.76 120.29 41.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.3 mt -90.58 154.02 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -175.84 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 112.372 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 54.81 27.84 9.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 62.29 51.79 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -136.44 160.38 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 72' ' ' GLY . 87.6 mt -145.05 136.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 71' ' ' ILE . . . -145.08 -167.01 11.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 51' ' ' ILE . 16.3 tt -117.39 146.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 111.083 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -121.0 115.4 23.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -150.09 165.91 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 14.0 mt -113.64 106.7 53.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 131.93 22.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.304 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -96.87 -28.12 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' C ' HD11 ' A' ' 29' ' ' LEU . 25.3 mm-40 -126.9 -179.82 5.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG12 ' CA ' ' A' ' 104' ' ' VAL . 5.5 m -123.7 147.66 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.52 -135.01 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.55 104.43 14.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -97.25 140.11 32.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.57 128.65 56.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 51' ' ' ILE . 17.5 t -107.31 112.48 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -83.08 103.84 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CD1' HG13 ' A' ' 85' ' ' VAL . 30.2 mm -109.33 126.35 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -141.88 171.07 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -125.7 105.66 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 62.34 26.26 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.18 16.74 34.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' HIS . 63.0 m-80 -130.87 102.56 6.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ASN . 7.7 m-70 -36.49 151.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 m -115.77 174.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 144.65 56.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 70.56 27.27 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.548 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 22.0 t -133.6 144.99 54.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.8 Cg_endo -69.75 156.11 92.91 Favored 'Cis proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.393 -0.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.8 t -84.86 136.92 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 p -99.28 121.48 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 35' ' ' PHE . 74.0 mt -125.71 143.11 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.1 tpt -103.97 121.19 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.2 t -113.7 134.34 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.44 ' CA ' HG12 ' A' ' 80' ' ' VAL . 19.0 m -151.11 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -82.27 140.64 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 p -90.68 94.6 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.14 46.96 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.7 mt -130.84 123.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -142.11 -173.43 14.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -129.06 126.85 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.762 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -88.98 108.46 19.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.05 146.32 16.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.56 35.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.0 p -172.38 107.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 t -119.27 141.87 48.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -84.1 133.76 34.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -105.17 85.04 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -104.03 -57.04 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -169.65 169.85 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.36 -173.74 44.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.5 147.65 82.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.31 37.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.19 -75.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -149.03 120.01 4.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' PHE . 52.9 Cg_endo -69.79 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' CE2' ' CB ' ' A' ' 15' ' ' ALA . 6.2 t80 -37.68 141.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -120.08 3.9 10.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 13' ' ' PHE . . . -104.67 -4.47 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.9 mtpp -37.35 -38.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 pt -99.08 -22.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 29.2 m -77.89 119.36 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' SER . 8.8 m-20 -86.47 114.96 23.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -35.58 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ASP . 49.0 m -53.17 -22.61 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -179.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -116.57 39.55 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.7 m -116.96 90.86 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -96.35 153.87 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.461 ' NE2' ' HB2' ' A' ' 106' ' ' SER . 10.6 tm0? -106.89 132.32 52.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 27.4 t -138.55 156.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -91.49 120.6 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 80' ' ' VAL . 8.4 tp -64.02 146.84 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.28 22.75 59.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.0 m -137.59 134.44 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 112.1 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.17 162.9 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -97.99 157.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 96.6 m-85 -139.62 124.03 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -97.16 111.94 23.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -121.55 128.15 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.66 97.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -126.99 132.52 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 m -84.42 44.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CB ' HD11 ' A' ' 47' ' ' LEU . 7.1 mm-40 -137.45 126.45 24.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 33.0 p -97.56 -65.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 3.5 p30 -34.57 114.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.02 -58.86 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 p -47.32 -54.04 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -48.35 -34.54 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 41' ' ' GLU . 64.5 mt -90.57 168.53 11.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -129.75 153.69 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.22 123.63 39.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -148.61 138.64 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 60.2 mt -138.68 136.31 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 51' ' ' ILE . 5.6 tptm -130.28 102.9 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.82 169.29 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.5 Cg_endo -69.76 -17.06 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.373 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.92 7.17 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.93 23.06 64.74 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.42 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -102.74 114.66 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.77 148.82 32.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -127.14 143.57 47.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.71 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.8 p -101.71 144.23 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.93 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 mt -85.04 137.75 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -146.4 164.56 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -89.67 127.06 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.99 155.05 37.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.621 0.724 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 164.06 36.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 40.3 t30 73.69 28.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 m120 61.31 41.51 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 15.6 m-70 -127.76 165.55 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.8 mt -141.34 141.29 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.68 174.5 26.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.3 tt -107.14 155.7 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -132.87 119.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 51' ' ' ILE . 20.7 p90 -155.51 154.37 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 70.4 mt -97.61 102.81 14.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.75 96.45 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -33.9 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -122.08 174.19 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 29' ' ' LEU . 27.9 m -117.13 162.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' C ' ' HE2' ' A' ' 102' ' ' MET . . . 131.95 -133.34 7.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.67 101.43 10.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -93.57 125.85 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -100.86 114.69 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.2 t -93.07 115.46 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 m -87.12 107.17 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.1 mm -115.19 114.77 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -131.85 171.91 12.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -125.21 106.51 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 60.74 27.08 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.57 17.09 34.6 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' HIS . 27.7 m-80 -130.77 101.97 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.7 m-70 -37.44 146.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.46 -177.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.09 146.02 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 65.21 29.18 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.546 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.4 t -133.91 144.89 53.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 154.21 93.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.357 0.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.41 120.62 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -86.53 130.65 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.406 HG21 ' CE2' ' A' ' 35' ' ' PHE . 51.5 mt -130.45 141.07 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.415 ' HE2' ' C ' ' A' ' 81' ' ' GLY . 5.5 tpt -103.6 126.24 50.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 104' ' ' VAL . 95.9 t -119.76 143.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 103' ' ' VAL . 25.7 m -154.43 149.3 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.08 84.51 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.461 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 3.1 m -65.65 -70.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -41.46 146.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -102.69 -49.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.39 -94.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.85 153.83 51.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 0.0 110.822 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.9 t -95.23 44.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.42 146.39 4.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.76 8.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 t -161.7 122.76 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.4 m -97.11 139.71 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 93.5 p -110.65 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.8 m -37.94 154.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.12 -105.21 1.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -50.7 111.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -157.41 150.44 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.98 -87.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.1 pt -40.51 150.75 0.27 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.9 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.345 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.25 171.6 12.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 p -70.63 137.27 85.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -148.0 141.45 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.4 m -139.41 122.27 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.36 111.6 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -30.73 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.92 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 m -139.03 118.37 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.54 168.24 20.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -113.12 119.33 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 22' ' ' ARG . 37.7 p -42.86 -47.52 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 21' ' ' SER . 27.1 ptt85 -34.57 -40.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -70.05 -66.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -139.57 172.45 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 m -115.6 153.06 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -126.85 130.84 51.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 2.6 t -140.84 159.81 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -92.69 114.71 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 78' ' ' ARG . 14.7 tp -72.24 114.01 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.7 4.97 39.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 118.21 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' CG1' ' A' ' 27' ' ' VAL . . . -123.38 135.23 54.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.04 148.33 25.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' CE2' HG23 ' A' ' 101' ' ' ILE . 38.1 m-85 -129.04 125.14 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.83 112.32 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -120.61 133.66 55.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.42 102.19 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -128.77 166.81 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m -111.39 30.05 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -122.0 122.98 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -90.04 -47.36 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.01 170.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 64' ' ' LYS . 2.6 mp -134.7 -43.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.9 p -72.29 -36.3 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -71.71 -8.58 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.2 mt -103.76 170.45 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.45 149.25 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' CB ' ' HG ' ' A' ' 63' ' ' LEU . . . -138.32 117.0 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 m -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -131.85 138.84 51.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.1 tppt? -140.14 125.33 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -66.21 167.16 13.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.77 -11.47 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.742 2.295 . . . . 0.0 112.288 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 m -98.68 9.76 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.69 25.2 65.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 mmm180 -107.42 112.56 25.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.36 153.62 43.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.44 144.33 52.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 96.88 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.391 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 20.7 p -98.41 141.32 31.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.18 119.96 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.422 ' HG ' ' CB ' ' A' ' 49' ' ' ALA . 78.6 mt -78.73 143.46 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 13.4 ptmt -147.77 176.16 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -110.25 117.91 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.89 154.27 49.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 50.68 29.9 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 59.39 45.91 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -127.75 164.32 22.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.8 mt -141.22 146.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.8 167.87 34.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 7.3 tt -101.04 154.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 t -129.44 114.21 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -149.92 161.81 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.4 mt -106.65 100.92 33.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.85 139.46 39.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' C ' ' CD1' ' A' ' 29' ' ' LEU . 15.5 mmm180 -111.44 -29.93 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 17.8 tp10 -111.52 152.83 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 32.7 m -105.64 134.16 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 -139.94 7.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.36 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -96.17 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -121.09 116.52 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 87' ' ' ILE . 12.4 t -95.35 112.57 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -87.68 104.97 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 85' ' ' VAL . 13.0 mm -113.98 125.27 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -137.86 177.38 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -131.44 104.0 6.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 61.31 30.31 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.25 42.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.78 104.93 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -39.34 144.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.4 m -103.15 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.53 140.98 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 68.67 29.57 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.545 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.5 t -131.58 143.15 47.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.74 151.8 91.7 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.343 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.7 t -87.41 131.57 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.8 p -88.64 126.56 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 102' ' ' MET . 81.6 mt -127.51 143.64 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.463 ' N ' HG21 ' A' ' 101' ' ' ILE . 5.9 tpt -108.62 124.63 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.66 125.21 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.21 156.14 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -82.82 108.01 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.2 p -55.78 100.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -74.6 112.15 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -93.15 -62.27 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.76 -97.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -163.42 118.81 1.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.5 m -88.42 177.79 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.54 173.87 46.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 100.27 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 p -114.75 117.38 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -118.34 165.78 13.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -128.78 139.9 51.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -127.66 141.16 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.75 89.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -109.09 164.46 12.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -88.63 -48.91 7.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.22 60.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 pp -60.25 151.36 68.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 130.76 19.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.609 2.206 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.67 101.32 1.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -103.8 145.38 30.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 117.78 5.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -168.02 136.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.3 m -100.49 88.04 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.58 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -99.54 119.03 37.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.22 115.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -139.4 139.99 37.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -96.73 158.41 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -152.46 154.21 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -40.25 -44.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -40.62 157.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -47.04 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.1 p -42.26 134.07 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 m -77.12 149.97 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -116.8 112.22 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.431 ' C ' ' HE3' ' A' ' 28' ' ' LYS . 7.6 t -123.61 161.88 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE3' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -94.7 136.89 34.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 79' ' ' GLU . 8.8 tp -87.08 121.72 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.48 -2.78 57.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -123.08 153.63 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 118.6 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' CB ' HG12 ' A' ' 27' ' ' VAL . . . -125.29 138.91 54.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.31 151.24 28.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 101' ' ' ILE . 68.3 m-85 -131.29 118.24 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tp -85.53 122.04 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -133.28 139.81 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.38 97.79 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pt -122.03 128.6 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 m -84.53 37.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -129.47 129.25 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.6 t -118.03 39.64 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 3.3 m-20 -130.75 69.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' ASP . 1.9 mt -36.56 -59.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -50.83 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 18.9 m -48.01 -19.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.33 162.29 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -121.72 166.24 14.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' C ' ' SG ' ' A' ' 61' ' ' CYS . . . -138.02 116.22 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -145.35 133.57 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.7 mt -136.23 145.23 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HE2' ' CA ' ' A' ' 56' ' ' GLY . 14.4 tptm -143.86 107.93 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -44.03 169.88 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 83' ' ' HIS . 54.2 Cg_endo -69.81 -18.51 36.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.627 2.218 . . . . 0.0 112.364 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.4 m -96.65 5.86 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' CA ' ' HE2' ' A' ' 52' ' ' LYS . . . 85.33 24.06 45.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -98.16 117.56 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.4 142.98 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 79.4 mt-10 -126.81 143.84 48.02 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 86.7 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 49' ' ' ALA . 29.9 p -90.82 145.37 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.44 119.96 11.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.54 140.36 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.5 161.39 40.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -90.94 132.74 35.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -105.71 155.03 38.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.86 17.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.502 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER 69.3 31.09 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 59.44 32.7 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.502 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 5.7 m-70 -116.46 164.72 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.28 140.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.38 165.99 30.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.49 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.35 157.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -130.56 118.21 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 10.7 p90 -153.35 156.09 37.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.94 100.26 10.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.91 -35.63 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.5 tp10 -112.07 153.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 27.1 m -104.17 143.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.2 -134.93 5.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -107.65 106.6 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 9.8 m80 -98.84 143.36 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 mt -112.48 115.01 27.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 87' ' ' ILE . 12.1 t -94.09 118.54 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 107.09 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 85' ' ' VAL . 16.9 mm -115.02 118.54 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -136.53 173.17 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -127.72 106.66 9.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 60.77 27.34 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.14 18.43 33.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' HIS . 32.2 m-20 -131.02 99.62 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.759 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 5.7 m-70 -35.92 144.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -108.3 176.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.96 149.45 47.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 61.51 29.66 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.2 t -132.7 141.31 40.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.76 158.16 91.29 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.3 t -89.58 131.09 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.7 p -89.54 117.54 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 35' ' ' PHE . 68.3 mt -116.89 145.53 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.437 ' N ' HG21 ' A' ' 101' ' ' ILE . 4.4 tpt -113.73 119.97 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.5 t -112.0 143.78 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -155.71 144.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 136.26 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -57.52 132.41 53.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -111.26 95.8 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.09 -57.45 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.59 -169.89 53.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.48 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.7 p -105.23 117.75 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.65 75.17 1.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.543 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 -13.73 35.48 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.4 t -111.82 136.41 51.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.6 p -113.76 122.31 46.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -68.51 115.4 7.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -84.68 135.09 34.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.0 -92.95 0.7 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -155.93 172.04 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -122.52 104.41 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.08 115.53 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 pt -79.38 144.22 61.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.588 0.709 . . . . 0.0 111.148 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.75 137.49 35.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.607 2.204 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.26 -177.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.0 p -68.68 149.59 97.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.607 0.717 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -26.29 28.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -74.85 141.1 44.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 t -160.0 154.42 23.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.6 134.49 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -131.54 153.2 50.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 pt -55.65 -22.67 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 p -94.59 99.16 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.54 165.54 14.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.63 -49.24 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.2 t 70.7 32.67 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.2 mpp_? -33.88 149.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -82.15 -58.63 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.4 p -90.01 145.18 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 t -74.86 129.8 38.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -97.28 129.57 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.73 156.11 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -90.34 117.36 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 tp -71.88 136.61 47.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.93 18.69 78.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.409 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -147.93 135.08 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.29 128.64 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.0 127.76 34.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.75 156.58 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 97.0 m-85 -138.8 117.51 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.25 115.49 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -126.66 142.57 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.55 100.96 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.6 pt -126.65 142.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.47 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 4.0 m -85.35 27.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 6.8 mp0 -125.86 120.45 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.436 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 5.6 t -100.66 -28.01 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.33 105.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.11 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -46.47 -51.37 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -48.67 -38.51 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 41' ' ' GLU . 63.0 mt -88.52 157.6 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.61 148.56 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.51 122.95 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -152.24 139.43 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 52' ' ' LYS . 78.2 mt -139.82 142.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 51' ' ' ILE . 6.8 tptm -141.49 105.34 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -43.73 169.33 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.72 -18.88 36.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 m -97.79 9.45 42.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.65 17.62 67.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 5.0 mmm180 -90.08 114.09 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.5 137.48 46.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 86.7 mt-10 -121.94 143.61 39.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 92.72 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.74 144.05 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.9 123.62 14.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.49 135.78 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -141.75 160.65 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -84.53 133.81 34.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 72' ' ' GLY . 82.2 mt -105.94 154.59 39.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.76 29.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.25 28.66 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.49 47.23 8.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -133.51 165.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 42' ' ' THR . 49.5 mt -143.32 143.8 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 66' ' ' LEU . . . -149.17 167.11 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.446 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 tt -97.77 149.08 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.055 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -125.7 114.43 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 9.5 p90 -150.95 167.93 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.7 mt -112.28 101.75 52.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.544 0.688 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.1 Cg_endo -69.66 133.55 26.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.3 -33.6 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 3.6 tp10 -114.23 151.83 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.461 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 m -101.01 141.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.59 -140.83 8.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -102.03 105.89 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -98.45 140.33 32.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.4 mt -116.0 114.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.434 ' CG1' HD12 ' A' ' 87' ' ' ILE . 16.9 t -92.64 117.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.0 m -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.434 HD12 ' CG1' ' A' ' 85' ' ' VAL . 26.9 mm -117.26 110.53 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 13.7 mttt -128.96 170.8 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -123.56 106.41 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 61.27 26.93 16.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.28 39.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.0 m-80 -129.79 100.12 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.9 m-70 -34.5 137.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.2 m -100.4 178.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.98 146.76 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 62.32 28.71 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.9 t -129.86 141.84 43.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.73 154.48 93.22 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.358 -0.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 t -78.09 127.38 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 p -91.54 116.26 28.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.75 150.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.7 tpt -113.2 116.77 30.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -102.77 131.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 151.19 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 80' ' ' VAL . 40.6 mt-30 -72.11 111.0 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -64.37 147.63 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -124.81 117.49 24.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.1 mm -110.31 -57.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.51 -107.65 3.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 58.7 37.33 25.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 p -81.27 -7.82 59.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.29 -157.88 53.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -21.61 33.2 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.749 2.299 . . . . 0.0 112.31 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.6 p -71.78 132.27 44.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.0 t -108.27 136.04 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.407 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -133.04 148.8 52.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.382 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -161.66 154.55 20.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.44 179.22 44.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -105.87 170.11 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -123.92 177.4 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.38 91.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -41.57 147.26 0.5 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.613 0.72 . . . . 0.0 111.046 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -166.61 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -150.85 62.72 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' GLY . 20.8 m -35.27 141.44 0.29 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -49.74 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 71.56 25.78 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.7 p -88.48 -14.81 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.76 133.79 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 tmmt? -156.93 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.9 mt -148.31 117.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -128.77 147.75 50.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 158.52 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.1 123.37 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -81.16 43.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 4.4 ptp180 -83.67 39.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.11 118.96 4.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -48.97 168.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -115.7 114.62 25.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -80.42 119.75 23.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 t -118.06 157.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -92.92 98.68 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 79' ' ' GLU . 13.3 tp -55.25 139.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.58 26.97 73.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -153.84 119.73 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.55 129.7 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.8 136.75 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.8 147.44 24.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 93.4 m-85 -127.24 148.06 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -113.79 103.15 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -105.6 140.02 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.72 103.48 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.4 pt -134.15 147.24 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 m -92.7 34.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' CD ' HD21 ' A' ' 47' ' ' LEU . 29.8 mt-10 -127.53 120.26 27.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 p -86.8 -49.35 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 5.1 t0 -39.84 153.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD22 ' C ' ' A' ' 64' ' ' LYS . 1.8 mt -116.96 -52.77 2.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -65.91 -41.58 91.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' HB2' ' CG ' ' A' ' 43' ' ' ASP . 16.1 m -59.17 -22.37 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD21 ' CD ' ' A' ' 41' ' ' GLU . 77.9 mt -95.65 161.08 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 m -117.72 151.71 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' CB ' ' HG ' ' A' ' 63' ' ' LEU . . . -126.36 125.63 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -151.55 138.59 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 54.8 mt -141.13 138.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' HG22 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -138.07 121.35 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -61.3 165.86 6.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.4 Cg_endo -69.75 -11.28 30.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -99.37 9.34 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.88 25.3 64.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -106.72 109.15 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.68 157.33 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -138.63 142.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.89 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 1.8 p -113.65 147.53 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.08 143.67 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' A' ' 49' ' ' ALA . 16.2 mt -97.32 125.52 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' C ' HD22 ' A' ' 44' ' ' LEU . 9.2 ptmt -131.09 176.14 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -109.16 116.95 32.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 82.0 mt -86.92 152.51 53.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.63 27.35 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 63.37 48.18 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m-70 -132.47 159.02 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 72' ' ' GLY . 54.4 mt -145.01 138.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 71' ' ' ILE . . . -145.23 -167.73 12.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 61' ' ' CYS . 8.6 tt -110.69 164.17 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 p -136.4 109.88 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 16.9 p90 -150.63 173.15 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mt -120.53 102.29 45.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 121.43 8.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' C ' HD12 ' A' ' 29' ' ' LEU . 1.4 mpt_? -90.29 -24.43 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 29' ' ' LEU . 21.6 mt-10 -118.99 165.68 13.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -114.67 138.37 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' C ' ' HE3' ' A' ' 102' ' ' MET . . . 149.92 -136.41 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.434 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -105.63 99.31 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -89.68 125.07 35.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.86 118.53 31.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -98.6 114.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -84.84 106.96 16.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mm -116.1 118.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 19.1 mttt -134.3 171.04 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -125.47 104.42 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 62.24 28.63 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.37 17.29 40.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -130.21 103.35 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.413 ' NE2' ' HE2' ' A' ' 88' ' ' LYS . 17.3 m-70 -38.85 146.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.4 m -111.07 176.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.51 56.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 67.88 29.18 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 48.4 t -133.65 142.64 44.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.8 146.43 82.24 Favored 'Cis proline' 0 C--N 1.341 0.134 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.274 0.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.9 t -82.63 117.73 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -85.46 129.88 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.78 148.17 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 81' ' ' GLY . 5.8 tpt -104.17 124.31 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.84 130.76 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.78 146.4 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -82.5 118.99 23.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.7 t -75.13 150.75 38.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -98.66 30.91 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.491 HD12 ' N ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -40.46 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -114.99 126.86 7.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.93 -48.52 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.759 0.314 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.0 p -99.75 165.82 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.3 155.29 16.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.439 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.8 19.98 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.417 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.3 p -42.71 -48.85 5.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.4 m -79.91 84.59 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -105.42 -46.3 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -65.21 -50.6 65.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 173.22 3.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -158.9 131.49 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -118.78 -45.09 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 121.23 6.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.03 150.37 68.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.646 0.736 . . . . 0.0 111.088 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.78 135.41 8.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.1 p -122.42 141.76 35.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.32 18.31 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -59.51 135.62 57.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.9 p -62.15 -50.33 72.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.6 139.19 48.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -88.91 -56.0 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 mm -85.38 144.56 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.6 p -45.23 153.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -120.48 44.69 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.34 158.5 20.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -92.59 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 13.4 mtp-105 -85.97 131.45 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -122.85 94.76 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -144.46 137.05 26.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 m -90.32 149.96 22.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -116.59 122.62 45.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -129.39 154.96 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.35 127.65 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.2 147.67 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.07 18.63 57.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.449 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 m -141.81 119.1 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.22 124.66 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.39 153.76 47.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.28 123.71 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 66' ' ' LEU . 5.1 tp -91.54 108.84 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -120.14 136.37 54.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.38 96.96 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -125.17 130.06 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.0 m -80.95 44.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' CB ' HD11 ' A' ' 47' ' ' LEU . 17.8 mp0 -137.74 115.03 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -88.11 -63.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.6 m-20 -38.72 103.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.47 -57.87 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.0 m -50.41 -41.92 52.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.7 m -57.78 -29.1 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 41' ' ' GLU . 97.1 mt -93.5 173.61 7.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -124.26 154.62 39.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.05 119.91 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -151.87 137.95 18.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.489 ' CD1' ' CD2' ' A' ' 75' ' ' PHE . 70.7 mt -140.98 142.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.5 tppt? -140.44 131.96 27.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -73.39 168.87 21.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.708 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.85 -13.72 34.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -98.22 11.08 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 75.48 25.16 68.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -105.56 108.86 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 146.27 54.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -126.97 143.81 48.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.74 0.781 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 111.43 2.81 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.5 p -112.49 151.93 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -144.98 128.73 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 mt -95.09 136.08 35.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -144.66 166.85 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 114.66 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 36' ' ' LEU . 16.9 mt -69.75 151.35 96.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.3 9.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.617 2.211 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.523 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 17.1 m120 -74.78 59.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 68' ' ' ASN . 7.5 m120 33.24 47.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 34.0 m-70 -147.01 179.56 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.44 ' N ' HD11 ' A' ' 66' ' ' LEU . 47.3 mt -146.89 127.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.82 -164.82 11.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.456 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.8 tt -120.59 157.34 23.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.3 t -133.26 109.88 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 8.6 p90 -146.6 159.99 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 59.1 mt -105.85 105.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 126.99 13.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -97.82 -5.12 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -145.12 165.95 26.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -114.01 138.53 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.45 -134.95 5.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.81 104.88 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -96.36 131.97 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.6 118.32 36.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 87' ' ' ILE . 38.5 t -98.71 117.27 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 m -85.52 109.95 18.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.445 ' CD1' HG12 ' A' ' 85' ' ' VAL . 20.1 mm -119.33 112.57 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -128.17 172.27 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -127.39 105.83 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 62.88 25.56 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.05 16.02 36.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 20.3 m-80 -130.88 102.66 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -34.48 144.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.6 m -105.43 178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.57 147.58 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 63.04 27.94 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.1 t -129.83 144.03 51.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.815 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.3 Cg_endo -69.77 153.02 92.84 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -85.44 121.26 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.9 m -88.44 122.59 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 102' ' ' MET . 46.4 mt -124.41 141.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.438 ' N ' HG23 ' A' ' 101' ' ' ILE . 21.6 tpp -99.46 120.37 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.62 138.01 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.05 161.55 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -91.07 106.51 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 p -39.02 147.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -90.73 41.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.79 -32.33 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.48 -130.6 4.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.06 114.51 28.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -95.81 75.53 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.32 -159.39 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 121.4 8.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.763 2.309 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 m -141.02 151.54 44.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 85.9 p -107.89 144.62 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -151.15 138.4 19.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p -158.18 156.81 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.59 -143.24 3.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.559 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -109.99 148.7 31.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -79.82 -58.98 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.77 82.78 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -58.81 142.96 83.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.99 11.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.76 -172.71 43.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 t -130.32 83.02 64.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.47 16.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.622 2.215 . . . . 0.0 112.393 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -43.99 136.86 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.0 m -50.38 122.38 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.71 131.94 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -109.15 134.38 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.24 161.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -54.48 110.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -40.64 134.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.2 179.07 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -100.55 33.86 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -70.22 148.83 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -104.02 38.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -129.7 179.76 5.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -98.2 124.42 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -112.08 131.37 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG11 ' CB ' ' A' ' 33' ' ' ALA . 1.6 t -134.68 160.3 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -93.97 118.68 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.9 126.62 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.64 9.36 61.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -135.13 162.54 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.98 110.0 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' CB ' HG11 ' A' ' 27' ' ' VAL . . . -111.61 148.51 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -96.05 145.27 25.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 85.8 m-85 -120.9 113.54 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 66' ' ' LEU . 13.5 tp -85.24 111.93 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.2 133.3 48.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.94 101.93 13.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.7 pt -129.89 137.89 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -78.31 46.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -132.5 121.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 62.9 m -99.44 -72.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -36.15 108.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.84 -59.72 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 p -47.04 -42.03 17.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -57.96 -33.51 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.03 165.92 14.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.39 152.26 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.13 117.36 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -152.64 141.69 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.1 mt -145.46 136.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -137.14 129.67 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 54' ' ' PRO . . . -70.82 168.45 20.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.8 -13.36 34.45 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -98.43 11.39 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 74.4 24.66 72.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.78 109.25 20.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 150.74 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -130.44 144.52 53.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.83 3.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.53 140.2 50.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.78 122.29 17.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.33 133.46 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -145.05 158.28 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.1 134.29 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 36' ' ' LEU . 65.9 mt -104.01 154.73 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.04 36.04 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.674 2.249 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.5 m-20 72.95 33.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 55.79 41.3 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 7.1 m-70 -127.03 168.36 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.2 mt -143.49 148.58 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.82 162.75 31.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.8 tt -104.46 152.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -126.79 126.58 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 19.3 p90 -158.5 153.67 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.94 105.35 41.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.63 6.55 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.267 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.05 -31.52 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -115.91 178.87 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.11 141.38 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.54 -138.89 7.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -103.21 99.63 9.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -89.77 142.02 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.0 116.55 28.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 87' ' ' ILE . 19.8 t -92.94 112.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.49 109.8 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 85' ' ' VAL . 12.1 mm -122.67 114.96 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -129.52 174.89 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -128.44 106.46 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 60.88 26.0 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.94 15.55 38.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' HIS . 14.0 m-80 -130.53 102.43 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ASN . 20.1 m-70 -34.62 143.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.32 -177.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 145.42 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 65.35 25.01 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.553 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 18.1 t -127.68 145.14 53.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 97' ' ' SER . 52.8 Cg_endo -69.84 147.93 85.83 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.331 0.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.07 129.7 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 p -90.73 122.83 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.445 HG23 ' CE2' ' A' ' 35' ' ' PHE . 97.9 mt -125.81 146.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.0 tpt -108.87 127.13 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.2 141.02 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 m -154.21 156.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 129.0 35.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.9 p -78.98 -43.44 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.36 124.66 50.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.6 mt -42.69 -58.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.87 85.47 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -84.33 131.31 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 p -85.91 159.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.93 -157.81 8.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 101.28 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.341 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -57.33 155.71 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 t -162.67 133.85 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.433 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 28' ' ' LYS . 45.6 t -130.12 159.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 27' ' ' VAL . 42.8 mmtm -90.48 106.08 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 78' ' ' ARG . 9.5 tp -66.92 134.07 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 16.25 66.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -148.95 127.93 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 111.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.98 135.34 54.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.26 151.29 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 98.6 m-85 -131.25 123.43 28.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 66' ' ' LEU . 4.5 tp -92.43 108.0 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.0 pt? -120.36 140.2 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.55 98.19 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -122.84 139.01 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.478 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 42.3 m -83.53 37.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' CD ' ' C ' ' A' ' 40' ' ' SER . 8.8 mp0 -131.18 118.17 20.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 m -87.63 -61.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -38.49 122.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 65' ' ' ARG . 1.7 mt -87.93 -62.68 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -52.7 -46.02 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -53.44 -17.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.533 HD22 HG11 ' A' ' 94' ' ' VAL . 87.4 mt -101.75 162.89 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -113.24 153.62 28.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -127.23 116.77 21.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -149.0 141.5 24.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 85' ' ' VAL . 14.8 mt -141.9 149.07 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.0 tptt -145.22 106.37 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.64 169.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.77 -19.83 35.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m -94.58 5.04 53.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 82.86 25.13 50.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -102.64 110.32 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.44 148.82 22.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -133.88 143.97 49.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 106.6 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.739 ' HB2' HD11 ' A' ' 73' ' ' ILE . 26.8 p -110.7 144.52 39.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.64 122.15 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -89.14 133.56 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HE3' ' CB ' ' A' ' 74' ' ' SER . 5.3 ptpt -137.67 161.48 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.11 118.05 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 36' ' ' LEU . 85.2 mt -89.46 153.77 48.39 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.8 30.36 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 59.38 52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -136.99 160.89 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.92 134.0 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.34 27.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.9 tt -99.65 156.27 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.473 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t -136.26 110.26 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.7 p90 -136.25 163.3 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.1 mt -104.39 93.22 5.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.2 Cg_endo -69.82 129.57 17.75 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.605 ' O ' HD21 ' A' ' 29' ' ' LEU . 17.5 mmm180 -99.26 -34.81 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 8.3 tp10 -106.99 154.68 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 105' ' ' GLN . 30.7 m -105.59 140.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.31 -140.56 9.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.564 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -100.21 104.25 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.597 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 6.9 m80 -94.66 144.76 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.44 117.25 29.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.695 HG12 HD11 ' A' ' 87' ' ' ILE . 14.8 t -97.91 119.62 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.55 103.94 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 HG12 ' A' ' 85' ' ' VAL . 16.6 mm -112.67 113.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -131.12 171.18 13.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -124.45 106.6 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.99 29.55 19.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.09 18.49 39.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' HIS . 37.5 m-80 -130.76 102.59 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.8 m-70 -37.97 141.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 87' ' ' ILE . 18.7 m -103.77 178.7 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.32 54.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 68.77 25.73 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.565 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 19.6 t -126.73 145.06 52.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.673 0.749 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.4 Cg_endo -69.78 144.37 76.49 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.338 -0.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.23 126.6 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.3 p -88.88 135.57 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.4 mt -137.85 142.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.5 tpt -101.78 123.72 46.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.59 128.01 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 26' ' ' GLN . 25.9 m -137.11 145.2 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.596 ' HG3' HG11 ' A' ' 80' ' ' VAL . 68.2 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.2 149.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -89.84 103.06 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 78' ' ' ARG . 12.5 tp -60.19 140.04 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.99 19.99 79.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -148.12 137.7 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 111.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.6 136.97 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.93 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 101' ' ' ILE . 97.5 m-85 -133.7 125.22 28.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tp -92.57 111.63 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -121.33 129.98 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.1 t70 -78.19 99.76 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 pt -131.14 138.24 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.435 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 67.8 p -85.82 29.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 3.3 mp0 -120.45 115.99 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -115.04 38.83 3.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LEU . 13.3 m-20 -127.13 72.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' ASP . 4.6 mp -36.67 -69.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -42.1 -64.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.4 m -47.13 -29.55 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 41' ' ' GLU . 27.1 mt -95.93 156.9 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -118.25 155.54 30.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -128.55 122.1 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -145.4 142.0 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 85' ' ' VAL . 67.3 mt -143.46 128.21 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -128.09 103.75 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.33 168.45 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.736 . . . . 0.0 111.042 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.849 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.0 Cg_endo -69.68 -18.34 37.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -96.07 5.63 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.46 53.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -101.66 118.54 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.78 150.88 48.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -130.15 141.86 43.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.704 0.764 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 91.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.86 ' HB2' HD11 ' A' ' 73' ' ' ILE . 11.3 p -96.43 137.48 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.09 117.42 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -77.81 133.16 38.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -143.53 155.9 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -82.85 136.84 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 34.0 mt -106.25 155.49 38.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.726 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.44 21.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 66.43 30.8 8.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.8 50.02 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 11.0 m-70 -134.43 166.57 22.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 72' ' ' GLY . 55.0 mt -143.95 153.05 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -160.1 175.61 36.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.439 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.4 tt -109.72 146.22 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -126.68 118.76 25.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.3 p90 -151.28 158.52 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mt -102.42 97.6 9.13 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 123.07 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.413 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.95 -28.24 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -121.62 170.32 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 103' ' ' VAL . 26.9 m -118.67 143.12 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.7 -144.65 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -100.58 99.31 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -92.13 143.47 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.5 mt -114.38 114.3 25.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 HG12 ' A' ' 51' ' ' ILE . 17.3 t -93.19 112.62 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 110.09 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mm -120.76 115.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 25.9 mttt -133.86 172.26 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -128.92 109.67 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 61.3 27.13 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.42 16.56 45.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' HIS . 44.7 m-80 -130.83 103.55 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-70 -36.39 143.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 47' ' ' LEU . 17.0 m -104.28 -176.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.93 147.12 49.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 38' ' ' ASP . 76.7 m-20 62.08 29.85 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 38.1 t -131.66 143.33 48.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.78 150.85 90.87 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.304 0.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.86 118.25 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -82.68 124.67 30.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 35' ' ' PHE . 77.3 mt -126.84 139.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.4 tpt -104.99 117.4 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 80' ' ' VAL . 60.5 t -105.62 135.53 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.24 161.04 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 80' ' ' VAL . 67.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.885 0.374 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.23 148.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -83.18 104.01 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 79' ' ' GLU . 12.0 tp -58.63 121.38 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.87 47.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 m -144.75 121.29 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.42 115.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.54 135.45 55.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.95 154.1 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 57.8 m-85 -137.83 122.74 18.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 66' ' ' LEU . 12.3 tp -89.47 116.54 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.9 pt? -125.01 145.0 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.14 96.7 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 41' ' ' GLU . 3.3 pt -118.82 126.09 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -63.13 -10.57 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 39' ' ' ILE . 13.2 mm-40 -104.29 125.47 50.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 p -89.34 -61.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.8 106.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.5 mp -73.31 -47.62 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.4 m -43.98 -59.38 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -53.7 -22.98 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 94' ' ' VAL . 89.1 mt -97.68 161.78 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -109.36 157.73 18.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -133.96 123.24 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -148.5 139.44 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.636 HG12 HG22 ' A' ' 85' ' ' VAL . 57.3 mt -145.43 138.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -147.97 121.99 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.812 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -48.39 167.64 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.812 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.68 -15.38 37.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -87.78 -1.6 58.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.35 19.82 40.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -60.84 163.37 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 58' ' ' ASP . 10.9 mm-40 -141.3 141.07 22.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 93.11 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 73' ' ' ILE . 28.5 p -105.55 147.78 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 62' ' ' LEU . 1.1 tm? -143.8 122.31 12.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.4 mt -79.97 127.19 31.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' ILE . 4.1 ptmt -144.0 176.88 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 71' ' ' ILE . 5.7 tpt180 -93.42 143.48 26.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.579 ' CD1' HD12 ' A' ' 36' ' ' LEU . 89.0 mt -97.22 152.43 38.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.569 0.7 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.298 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.3 m120 -74.89 59.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER 34.16 42.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 31.7 m-70 -143.78 -174.99 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.766 HD11 HH11 ' A' ' 65' ' ' ARG . 35.0 mt -143.68 137.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' HG ' ' A' ' 66' ' ' LEU . . . -146.63 -175.22 19.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.4 tt -111.44 151.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.78 109.28 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -142.19 164.18 30.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 45.5 mt -110.7 105.87 57.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 55.0 Cg_endo -69.65 128.89 16.78 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.46 -7.59 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 -140.32 177.97 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 103' ' ' VAL . 18.0 m -125.25 140.66 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.26 -137.38 6.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -107.91 102.37 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -90.29 143.15 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.41 120.64 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 87' ' ' ILE . 17.8 t -99.67 125.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -90.52 107.28 19.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 85' ' ' VAL . 16.7 mm -118.42 109.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 11.9 mttt -130.16 172.43 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -125.21 106.08 9.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 61.42 28.82 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.8 15.64 45.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' HIS . 68.5 m-80 -129.35 101.46 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.443 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 25.5 m-70 -35.22 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 47' ' ' LEU . 18.8 m -107.76 -176.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.74 146.81 51.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 62.31 30.15 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 37.3 t -132.48 142.23 44.15 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.704 0.764 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.83 161.04 87.19 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.621 -1.825 . . . . 0.0 112.402 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.3 138.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -102.62 110.72 22.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.6 mt -110.77 146.67 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.5 tpt -110.55 117.19 32.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 80' ' ' VAL . 59.7 t -108.8 140.87 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.7 144.91 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.29 153.24 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -92.67 137.43 32.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 79' ' ' GLU . 8.1 tp -79.49 140.97 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.71 76.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 76' ' ' ILE . 66.2 m -137.3 135.52 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 107.59 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.93 140.0 49.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.97 158.3 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 75' ' ' PHE . 94.1 m-85 -136.41 123.12 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -93.35 104.78 16.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -115.79 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -90.98 101.39 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 pt -128.23 137.11 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -84.24 34.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.7 mm-40 -130.17 118.81 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 43' ' ' ASP . 6.6 t -93.06 -44.46 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 42' ' ' THR . 8.2 t0 -51.72 113.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 42' ' ' THR . 2.9 mp -78.97 -60.56 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -46.81 -50.54 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -52.8 -34.24 52.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 94' ' ' VAL . 96.3 mt -87.45 160.93 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 49' ' ' ALA . 11.1 m -114.16 157.0 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 48' ' ' THR . . . -130.4 119.45 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -152.16 138.37 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 85' ' ' VAL . 20.0 mt -137.93 132.89 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -134.37 103.1 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.84 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.278 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -96.72 9.02 42.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.05 62.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.403 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -100.14 115.47 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 155.09 34.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -139.02 143.69 38.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 101.01 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.75 ' HB2' HD11 ' A' ' 73' ' ' ILE . 12.9 p -108.2 145.08 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.66 128.16 19.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.7 mt -92.42 132.15 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 71' ' ' ILE . 10.1 ptpt -142.09 170.26 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -95.55 129.15 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 70.7 mt -100.02 153.85 37.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 176.68 6.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m120 61.24 28.36 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.8 47.95 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' C ' ' HB2' ' A' ' 66' ' ' LEU . 8.6 m-70 -133.28 167.49 20.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' LYS . 48.7 mt -144.04 144.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.14 164.82 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.2 tt -104.69 153.51 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 m -124.7 124.82 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 35' ' ' PHE . 12.8 p90 -159.28 161.25 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 31' ' ' SER . 28.6 mt -108.77 109.14 61.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.81 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.736 2.29 . . . . 0.0 112.319 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -89.73 -18.76 25.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.3 mp0 -132.36 164.14 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 105' ' ' GLN . 22.7 m -108.95 138.85 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.0 -146.13 15.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -100.9 100.01 10.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -87.34 141.99 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 98' ' ' PRO . 19.1 mt -116.15 116.1 27.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 87' ' ' ILE . 9.6 t -94.72 112.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -79.0 110.17 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HG12 ' A' ' 85' ' ' VAL . 20.4 mm -121.21 117.48 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 12.5 mttt -135.54 171.15 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -122.56 109.69 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.809 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.88 28.41 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.16 17.83 33.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 70.9 m-80 -130.49 99.08 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 10.5 m-70 -35.55 141.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 47' ' ' LEU . 18.0 m -101.34 -178.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.38 147.82 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 61.16 26.72 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 42.8 t -125.59 142.51 42.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 0.0 110.798 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.33 131.36 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -94.26 117.89 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.518 HG21 ' CE1' ' A' ' 35' ' ' PHE . 84.0 mt -121.25 145.01 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 tpt -108.6 120.35 42.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.9 t -115.59 133.98 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.15 136.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.1 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 28' ' ' LYS . 38.2 t -140.17 156.89 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 27' ' ' VAL . 12.3 mmmm -88.03 115.86 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' C ' ' A' ' 78' ' ' ARG . 16.3 tp -68.82 131.3 44.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.85 51.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.423 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -152.67 127.85 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 112.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.17 144.11 46.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.9 151.03 26.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 75' ' ' PHE . 90.8 m-85 -132.23 112.65 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -83.98 123.13 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.58 136.01 38.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -83.82 99.88 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 41' ' ' GLU . 8.3 pt -133.19 136.07 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 m -81.71 44.28 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 47' ' ' LEU . 6.5 mt-10 -126.67 132.0 51.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 22.6 p -109.73 -69.57 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' O ' HD12 ' A' ' 47' ' ' LEU . 17.8 m-20 -35.37 123.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -88.16 -57.19 3.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 p -53.95 -48.0 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -54.46 -26.6 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 41' ' ' GLU . 23.7 mt -98.48 164.18 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.51 146.37 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -122.21 124.4 43.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -150.92 138.91 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 HG13 ' A' ' 85' ' ' VAL . 38.6 mt -137.12 134.12 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -134.24 103.05 5.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.45 169.37 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.75 -17.08 37.83 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -98.94 10.81 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.59 20.15 74.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -94.85 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.06 148.26 52.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 75' ' ' PHE . 77.6 mt-10 -130.83 143.1 47.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 90.34 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.784 2.322 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' A' ' 73' ' ' ILE . 7.1 p -99.4 146.17 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -144.81 139.25 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 49.0 mt -93.26 132.94 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -144.91 154.95 43.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.577 HH11 HD11 ' A' ' 71' ' ' ILE . 9.6 tpt180 -86.68 132.07 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.8 mt -100.03 153.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.99 22.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 69.7 25.78 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.54 50.36 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' C ' HG13 ' A' ' 71' ' ' ILE . 8.0 m-70 -134.4 166.06 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.577 HD11 HH11 ' A' ' 65' ' ' ARG . 55.1 mt -144.99 144.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.49 174.95 32.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 61' ' ' CYS . 6.9 tt -109.84 148.3 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.37 120.67 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 9.2 p90 -154.44 152.48 30.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 35.2 mt -97.76 104.72 22.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.686 0.755 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 129.47 17.63 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' C ' HD11 ' A' ' 29' ' ' LEU . 1.5 mpt_? -99.3 -26.55 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' N ' HD11 ' A' ' 29' ' ' LEU . 12.9 tt0 -129.94 167.82 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 103' ' ' VAL . 33.8 m -112.22 144.5 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.09 -141.44 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -103.03 100.61 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -89.97 142.53 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -116.29 114.8 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 51' ' ' ILE . 4.8 t -95.42 120.71 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.4 m -87.3 111.52 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 86' ' ' SER . 19.9 mm -120.36 116.78 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -135.73 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -125.18 104.2 8.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 62.06 26.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.44 17.66 30.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 67.8 m-80 -130.97 101.09 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -35.64 147.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.6 m -106.84 -176.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 145.28 45.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 64.68 28.62 13.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 27.8 t -126.98 144.51 50.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.83 157.66 92.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.319 0.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -80.65 116.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.7 p -82.0 115.12 21.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.8 mt -120.44 141.75 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 tpt -109.96 119.72 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 80' ' ' VAL . 58.2 t -109.6 137.21 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.3 143.37 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.476 ' HG2' HG11 ' A' ' 80' ' ' VAL . 12.2 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 35' ' ' PHE . 17.1 t -118.79 154.12 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.25 123.58 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 80' ' ' VAL . 7.5 tp -66.23 131.37 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.42 24.01 66.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -144.45 121.65 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 117.34 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -126.1 152.73 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -91.26 148.81 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 96.2 m-85 -130.81 123.52 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 66' ' ' LEU . 5.1 tp -89.04 111.98 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 99' ' ' VAL . 2.0 pt? -118.33 133.51 55.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.23 100.52 7.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 41' ' ' GLU . 5.2 pt -129.74 120.67 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -63.48 -8.34 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.48 120.9 40.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.874 HG23 HD11 ' A' ' 71' ' ' ILE . 59.0 m -91.96 -59.63 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -34.89 109.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD21 ' CA ' ' A' ' 64' ' ' LYS . 5.4 mp -71.88 -58.28 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.4 m -43.12 -57.59 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -48.99 -32.38 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 41' ' ' GLU . 58.8 mt -97.89 161.23 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 49' ' ' ALA . 9.7 m -111.89 165.33 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -132.45 121.68 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -151.02 143.73 24.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 85' ' ' VAL . 96.9 mt -142.75 137.94 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 24.2 tptt -132.57 105.23 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.889 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.76 169.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 111.078 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.889 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.7 Cg_endo -69.77 -17.56 37.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.47 5.73 50.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 22.56 59.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.87 113.32 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.58 159.63 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -141.76 143.36 28.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.69 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 73' ' ' ILE . 13.3 p -98.28 145.49 26.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 49' ' ' ALA . 6.7 mt -74.65 131.58 41.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CA ' HD21 ' A' ' 44' ' ' LEU . 10.4 ptmm? -142.14 170.46 15.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -91.37 143.4 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 36' ' ' LEU . 20.8 mt -114.95 155.04 46.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.276 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.48 25.38 14.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.35 44.45 5.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.409 ' C ' HG13 ' A' ' 71' ' ' ILE . 6.6 m-70 -129.05 173.62 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.874 HD11 HG23 ' A' ' 42' ' ' THR . 58.4 mt -144.1 147.14 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.32 173.86 35.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.8 tt -107.58 158.19 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -130.62 112.64 13.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.583 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.0 p90 -147.59 158.18 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.5 mt -101.64 98.56 9.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.23 -23.36 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' C ' HD11 ' A' ' 29' ' ' LEU . 7.0 mp0 -123.11 172.99 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.734 HG13 HD13 ' A' ' 29' ' ' LEU . 7.8 m -118.97 153.3 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 138.62 -136.14 7.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -111.74 99.88 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.26 137.49 33.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 mt -106.87 114.37 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 87' ' ' ILE . 16.6 t -93.96 117.34 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.3 m -86.65 107.04 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.752 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -116.38 115.47 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -131.69 172.78 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.91 104.66 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.33 26.25 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.45 16.99 37.97 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' HIS . 69.3 m-80 -130.23 100.4 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 15.6 m-70 -34.47 141.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.677 HG11 HD22 ' A' ' 47' ' ' LEU . 34.8 m -101.72 -176.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.23 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 70.63 27.16 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.0 t -128.55 143.17 47.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.6 Cg_endo -69.73 156.92 92.48 Favored 'Cis proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.348 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 37' ' ' LEU . 41.0 t -88.62 122.57 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 m -80.8 129.98 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 102' ' ' MET . 89.5 mt -127.65 154.65 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.457 ' N ' HG22 ' A' ' 101' ' ' ILE . 9.3 tpt -119.34 125.68 49.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 80' ' ' VAL . 48.8 t -118.87 133.96 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.8 151.27 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' HG11 ' A' ' 80' ' ' VAL . 16.0 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.68 153.25 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -93.49 113.79 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.5 tp -62.62 151.12 38.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.45 17.39 53.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -137.91 119.44 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.63 140.03 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.68 156.38 27.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 80.7 m-85 -140.52 118.36 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 70' ' ' HIS . 5.9 tp -93.39 115.96 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -123.53 141.3 52.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.02 97.23 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.98 131.18 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 44.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 47' ' ' LEU . 78.1 mm-40 -133.36 118.18 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -109.56 34.86 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 5.3 m-20 -126.9 79.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.91 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -41.73 -57.19 2.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 50.3 m -44.7 -36.11 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 41' ' ' GLU . 56.8 mt -90.02 163.66 14.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.15 146.91 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -115.11 121.88 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -148.02 125.35 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 85' ' ' VAL . 62.5 mt -130.01 145.3 35.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -45.44 168.65 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.79 -14.52 36.11 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.608 2.206 . . . . 0.0 112.383 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -89.31 -0.83 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.77 20.43 50.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -102.27 115.4 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.376 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.7 144.08 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -122.14 143.84 40.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 98.83 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.731 ' HB2' HD11 ' A' ' 73' ' ' ILE . 22.6 p -112.07 145.17 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.37 121.31 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 13.5 mt -80.83 137.65 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -145.35 159.7 42.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -89.63 118.06 28.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.1 mt -88.76 154.29 50.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 178.79 4.25 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.733 2.289 . . . . 0.0 112.278 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 59.48 30.48 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 59.29 48.97 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 36' ' ' LEU . 9.9 m-70 -133.9 159.71 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.3 mt -145.08 136.51 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.75 -173.56 16.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.1 tt -117.38 147.38 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -125.06 120.29 31.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.414 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.4 p90 -150.95 172.41 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 67.0 mt -118.13 100.46 51.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.69 132.4 23.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.758 2.305 . . . . 0.0 112.347 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.49 -2.73 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 29' ' ' LEU . 56.6 mt-10 -141.49 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.702 HG11 ' HG3' ' A' ' 105' ' ' GLN . 25.2 m -118.61 144.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.2 -141.38 10.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -105.99 101.39 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 17.1 m80 -87.75 142.22 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.17 117.16 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 51' ' ' ILE . 14.6 t -98.41 113.61 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -82.56 109.9 17.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 94' ' ' VAL . 33.6 mm -117.42 112.25 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -131.0 172.33 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -127.34 106.07 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 m120 62.45 27.67 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.85 17.55 37.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -130.89 103.32 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -39.7 144.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 47' ' ' LEU . 17.9 m -108.67 -178.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.2 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 10.7 m120 59.21 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 36.6 t -131.8 143.38 48.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.5 Cg_endo -69.77 153.91 93.13 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 -1.786 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.1 t -86.15 118.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -80.48 135.94 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.0 mt -133.75 143.92 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 tpt -105.29 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.413 HG12 HG12 ' A' ' 80' ' ' VAL . 46.3 t -118.15 125.92 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.81 152.97 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.702 ' HG3' HG11 ' A' ' 80' ' ' VAL . 21.1 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.5 t -131.17 151.43 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -89.15 110.16 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' N ' ' A' ' 79' ' ' GLU . 13.4 tp -64.7 126.02 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.99 24.9 39.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m -150.44 132.31 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.05 138.69 53.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.9 151.11 31.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 101' ' ' ILE . 83.8 m-85 -135.97 127.64 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 66' ' ' LEU . 7.1 tp -93.77 108.47 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.3 pt? -107.5 131.37 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.06 98.71 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.438 HG23 ' HG ' ' A' ' 37' ' ' LEU . 5.5 pt -133.57 153.24 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.411 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 43.4 m -106.88 32.72 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.8 mp0 -119.9 127.85 53.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.9 t -91.98 -44.06 9.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 m-20 -58.81 133.77 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' C ' ' A' ' 64' ' ' LYS . 3.3 mp -102.16 -56.49 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -51.54 -49.31 62.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 m -58.1 -17.77 20.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 167.91 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -121.32 159.04 26.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.736 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -140.2 120.42 13.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.036 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -149.23 134.91 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 85' ' ' VAL . 61.6 mt -131.17 134.14 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.7 tptt -132.99 104.54 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.18 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.77 -17.76 37.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -96.77 8.17 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.14 24.62 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.24 114.57 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.91 156.55 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -137.25 143.72 42.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.72 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.717 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.4 p -93.69 144.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.19 131.89 31.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.1 mt -92.14 135.83 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.724 ' C ' HD21 ' A' ' 44' ' ' LEU . 10.2 ptpt -143.85 172.01 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -98.07 123.43 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 36' ' ' LEU . 87.1 mt -93.9 154.28 40.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 60.78 33.32 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.84 49.17 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -134.46 166.79 22.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.0 mt -141.11 143.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.39 166.83 31.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 61' ' ' CYS . 14.9 tt -103.71 159.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.181 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -136.27 116.09 13.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 5.9 p90 -147.88 158.97 44.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -103.0 95.78 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.497 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.0 Cg_endo -69.82 132.7 23.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.51 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -102.47 -16.72 16.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.567 ' N ' HD11 ' A' ' 29' ' ' LEU . 2.0 tt0 -125.63 167.04 15.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 105' ' ' GLN . 20.3 m -117.67 135.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.84 -142.42 9.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.98 111.71 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -104.87 132.65 50.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.23 115.37 30.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 87' ' ' ILE . 16.3 t -95.3 112.72 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -80.79 113.26 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.867 HD11 HG12 ' A' ' 85' ' ' VAL . 15.6 mm -126.67 118.65 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 92' ' ' ASN . 19.8 mttt -135.34 172.63 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -124.69 104.0 8.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m120 64.08 27.59 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.99 16.82 39.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' HIS . 79.0 m-20 -130.78 102.23 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.9 m-70 -34.44 141.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 87' ' ' ILE . 31.7 m -104.71 174.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.9 144.73 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.7 m120 63.67 33.58 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 33.2 t -137.82 143.61 40.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.82 157.98 91.65 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.288 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 37' ' ' LEU . 40.0 t -85.68 125.43 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.0 p -90.06 109.72 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 35' ' ' PHE . 56.5 mt -112.97 142.72 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.9 tpp -109.08 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.22 136.94 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.1 170.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HG3' HG11 ' A' ' 80' ' ' VAL . 26.3 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 35' ' ' PHE . 3.0 t -141.79 155.76 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -85.1 131.04 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 HG13 ' A' ' 80' ' ' VAL . 4.2 tp -82.53 133.02 35.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.83 6.89 87.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -129.86 120.58 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.45 116.1 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.51 49.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.15 144.7 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 51.5 m-85 -122.59 113.52 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 66' ' ' LEU . 7.1 tp -83.96 105.69 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.04 144.67 48.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -90.85 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.59 120.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -82.39 43.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -131.14 116.15 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.6 p -96.35 -175.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LEU . 6.2 m-20 70.45 49.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.686 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.9 mp -37.73 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -56.81 -51.41 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -57.13 -23.96 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.724 HD22 HG11 ' A' ' 94' ' ' VAL . 70.3 mt -94.85 160.74 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.54 153.61 22.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -128.36 123.63 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.041 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t -149.6 139.75 22.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 85' ' ' VAL . 60.4 mt -142.24 135.14 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -136.32 121.59 19.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -62.68 167.14 6.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -97.9 9.89 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.19 23.05 72.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -105.1 108.74 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.19 35.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 10.8 mp0 -131.4 141.06 40.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.696 0.76 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 p -108.8 145.64 34.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.36 123.44 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.8 mt -77.5 131.59 37.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.97 151.48 38.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -78.55 147.98 33.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 36' ' ' LEU . 40.1 mt -119.83 155.02 55.37 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.04 30.08 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 57.67 49.62 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -137.01 173.3 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 72' ' ' GLY . 52.0 mt -141.12 152.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -158.63 156.42 27.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.31 146.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -117.3 114.5 23.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 13.7 p90 -148.62 162.27 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.0 mt -109.51 105.33 57.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.8 115.38 4.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -79.46 -17.78 53.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' C ' HD11 ' A' ' 29' ' ' LEU . 4.5 mm-40 -141.09 -177.27 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 103' ' ' VAL . 33.3 m -123.88 145.76 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.1 -142.32 11.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -100.4 101.73 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.46 141.17 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.83 114.5 26.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.791 HG12 HD11 ' A' ' 87' ' ' ILE . 18.7 t -94.09 113.58 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.1 m -83.66 112.95 20.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.791 HD11 HG12 ' A' ' 85' ' ' VAL . 20.7 mm -121.97 117.6 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -135.91 172.45 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HE3' HD21 ' A' ' 47' ' ' LEU . 30.7 ttmt -127.07 108.35 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 60.21 26.97 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.91 17.41 35.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' HIS . 74.4 m-20 -130.35 102.88 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 11.4 m-70 -36.41 151.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.724 HG11 HD22 ' A' ' 47' ' ' LEU . 30.0 m -113.27 -179.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.98 149.79 50.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 99' ' ' VAL . 12.2 m-80 56.86 35.54 26.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.0 t -135.49 142.55 41.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.76 151.96 91.88 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.292 0.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.5 t -84.0 120.58 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.5 p -82.24 131.23 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.454 HG21 ' CE2' ' A' ' 35' ' ' PHE . 80.4 mt -129.53 143.73 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.7 tpt -108.09 117.58 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 80' ' ' VAL . 86.2 t -109.59 133.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.14 135.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.53 HE22 HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 104' ' ' VAL . 11.1 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.816 0.341 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.26 149.44 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.75 118.82 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' C ' ' A' ' 78' ' ' ARG . 28.8 tp -80.13 120.63 24.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.11 14.39 45.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -142.58 147.43 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.52 138.75 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -93.48 140.97 28.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 48.5 m-85 -124.06 108.49 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 70' ' ' HIS . 7.8 tp -85.99 114.88 23.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -126.55 139.02 53.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.07 103.34 13.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -129.62 146.98 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 t -84.84 34.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 47' ' ' LEU . 45.0 mm-40 -133.12 133.46 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 71' ' ' ILE . 53.7 m -116.04 -56.89 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.4 m-20 -38.6 98.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 ' CA ' ' A' ' 64' ' ' LYS . 2.6 mp -59.66 -61.55 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -48.14 -47.63 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 17.4 m -54.27 -32.62 56.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 41' ' ' GLU . 77.1 mt -93.31 172.63 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -132.44 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.642 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -121.78 122.16 38.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -146.67 137.23 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.703 HG12 HG22 ' A' ' 85' ' ' VAL . 56.2 mt -137.43 132.25 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' ALA . 5.3 tptm -126.87 101.14 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.61 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.75 -15.34 37.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.5 p -97.65 7.68 46.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.36 15.77 79.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.03 122.39 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.39 153.05 44.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -129.16 143.82 50.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.607 2.205 . . . . 0.0 112.311 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD11 ' A' ' 73' ' ' ILE . 5.1 p -90.08 145.71 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.1 120.61 11.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -85.3 144.15 28.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' CA ' HD21 ' A' ' 44' ' ' LEU . 9.2 ptmm? -148.44 178.09 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 115.57 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 95.7 mt -84.06 153.79 63.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 175.21 8.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.617 2.212 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.0 m120 62.02 30.1 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 61.8 41.73 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.1 m-70 -123.21 157.89 32.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 42' ' ' THR . 43.8 mt -145.1 135.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.57 -170.9 16.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 61' ' ' CYS . 18.0 tt -110.08 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -134.8 108.58 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.2 p90 -145.05 161.61 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.84 102.11 46.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.16 27.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.686 ' C ' HD11 ' A' ' 29' ' ' LEU . 2.7 mpt_? -103.27 -12.47 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.609 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.4 mt-10 -133.89 162.37 32.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 103' ' ' VAL . 15.5 m -113.1 143.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.22 -135.07 5.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -103.96 104.57 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -99.63 128.28 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.6 120.36 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 51' ' ' ILE . 23.9 t -99.96 114.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.93 111.26 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 85' ' ' VAL . 16.1 mm -119.5 119.49 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HA ' HG13 ' A' ' 94' ' ' VAL . 14.4 mttt -137.31 172.0 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -127.08 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 58.54 26.08 13.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.74 33.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.8 m-80 -130.83 101.77 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.4 m-70 -34.65 145.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG11 HD22 ' A' ' 47' ' ' LEU . 17.2 m -108.24 179.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.57 145.44 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 65.1 29.12 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.4 t -131.31 142.79 46.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.77 147.17 84.13 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.287 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.98 119.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.2 p -84.56 119.36 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 mt -125.93 141.91 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -106.8 116.89 32.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 80' ' ' VAL . 58.3 t -100.8 131.99 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 26' ' ' GLN . 11.2 m -135.69 171.86 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.84 0.352 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 28' ' ' LYS . 23.7 t -137.15 155.96 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -93.04 114.85 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' C ' ' A' ' 78' ' ' ARG . 13.7 tp -79.18 113.71 17.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.92 13.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' ILE . 3.9 t -152.02 145.19 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.6 107.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.21 128.9 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -86.44 135.4 33.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.675 ' CE2' HG21 ' A' ' 101' ' ' ILE . 94.9 m-85 -119.44 122.95 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.27 117.76 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -128.49 158.28 38.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.18 97.91 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -120.73 148.27 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -89.91 31.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 38.9 mm-40 -126.04 120.29 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.1 t -92.78 -46.76 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 42' ' ' THR . 1.1 m-20 -48.75 126.22 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.7 mt -90.3 -59.68 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -58.59 -45.44 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 42.8 m -54.39 -18.96 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' ' 41' ' ' GLU . 87.0 mt -101.59 164.65 11.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -114.44 150.32 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -128.31 116.6 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t -147.99 144.58 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.41 HD12 ' CG ' ' A' ' 75' ' ' PHE . 52.3 mt -143.89 134.85 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 13.8 tptt -133.83 103.58 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.861 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.06 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.861 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.9 Cg_endo -69.74 -17.99 37.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -96.07 8.09 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 21.44 61.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.562 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -98.69 120.97 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.45 146.0 41.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -125.87 144.05 47.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.13 144.84 29.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.83 120.15 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 44' ' ' LEU . 12.7 mt -78.61 134.29 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' ILE . 11.4 ptmm? -140.95 177.43 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.65 121.51 44.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 96.0 mt -90.64 153.64 45.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 173.96 10.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 t-20 65.28 27.54 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 62.78 44.87 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 8.2 m-70 -129.56 160.23 33.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LYS . 96.6 mt -145.02 140.6 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.59 -177.24 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.55 150.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -127.47 110.65 12.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 51' ' ' ILE . 8.2 p90 -146.96 160.38 42.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 31' ' ' SER . 7.6 mt -104.5 100.66 23.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.64 ' C ' HD11 ' A' ' 29' ' ' LEU . 9.9 tpt180 -92.16 -34.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.818 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 7.6 tp10 -111.42 153.78 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 103' ' ' VAL . 26.8 m -103.73 141.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.29 -136.76 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -104.55 104.79 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -96.94 136.76 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -107.44 116.25 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.915 HG12 HD11 ' A' ' 87' ' ' ILE . 13.4 t -94.74 114.27 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -82.68 108.65 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.915 HD11 HG12 ' A' ' 85' ' ' VAL . 11.0 mm -120.46 113.95 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 23.1 mttt -132.71 173.63 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -131.35 111.99 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.1 m120 61.12 28.94 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.75 17.48 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' HIS . 73.8 m-20 -130.87 102.64 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' ASN . 10.7 m-70 -34.11 143.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.3 m -100.27 178.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.03 139.45 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 69.09 28.54 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.561 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 11.1 t -128.45 146.51 60.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.78 159.21 90.11 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.334 0.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.17 122.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -84.44 118.9 24.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.2 mt -122.05 145.03 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.0 tpt -108.0 118.04 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -104.72 137.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.81 153.38 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.495 ' CG ' HG11 ' A' ' 80' ' ' VAL . 9.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 33' ' ' ALA . 5.6 t -137.47 167.21 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 27' ' ' VAL . 1.8 mppt? -104.8 118.81 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.8 tp -69.66 112.38 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.03 6.98 29.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -139.29 133.14 30.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 117.33 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -114.78 155.28 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.44 152.81 18.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 64.6 m-85 -133.42 114.97 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 66' ' ' LEU . 6.8 tp -86.47 118.3 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 99' ' ' VAL . 1.8 pt? -133.23 135.36 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -81.95 102.71 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.13 140.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.4 m -80.01 47.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.9 mt-10 -134.71 114.54 12.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -93.84 -27.3 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -76.81 140.94 40.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -102.7 -58.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -52.23 -43.45 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 m -59.22 -25.63 64.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 HG11 ' A' ' 94' ' ' VAL . 59.6 mt -92.75 170.0 10.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -119.13 151.36 38.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.2 116.89 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -150.18 131.72 14.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.537 ' CG1' HG13 ' A' ' 85' ' ' VAL . 45.8 mt -140.82 152.28 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -159.05 121.14 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.832 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -47.8 168.32 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 111.04 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.832 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -15.52 37.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -88.66 -1.13 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.35 20.56 41.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -103.7 111.19 23.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 161.09 1.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -141.44 143.96 32.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.767 ' HB2' HD11 ' A' ' 73' ' ' ILE . 23.0 p -108.56 137.93 45.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -136.18 119.89 17.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.69 130.72 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.72 166.22 24.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH2' ' HA ' ' A' ' 69' ' ' ASN . 12.2 tpt180 -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 36' ' ' LEU . 92.1 mt -104.85 154.46 38.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.9 11.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 6.8 m-20 61.38 41.26 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 11.5 t-20 49.6 49.91 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 33.6 m-70 -133.14 163.08 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 70' ' ' HIS . 46.6 mt -144.32 142.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.55 169.48 31.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.0 tt -105.23 154.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 t -131.03 122.67 27.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.3 p90 -152.62 159.52 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -102.61 100.92 17.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.8 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' C ' HD11 ' A' ' 29' ' ' LEU . 5.9 tpt180 -87.62 -30.14 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' N ' HD11 ' A' ' 29' ' ' LEU . 7.3 tt0 -120.1 171.34 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.617 HG11 ' HG3' ' A' ' 105' ' ' GLN . 16.9 m -115.4 142.48 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.99 -142.83 10.94 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -102.75 103.98 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.46 116.39 28.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.971 HG12 HD11 ' A' ' 87' ' ' ILE . 10.6 t -96.94 112.66 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.5 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.0 m -83.9 106.89 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.971 HD11 HG12 ' A' ' 85' ' ' VAL . 13.5 mm -118.53 114.23 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -130.93 172.97 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -126.88 105.29 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 60.38 28.13 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.95 17.63 34.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -130.65 102.67 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.62 143.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 87' ' ' ILE . 35.7 m -103.09 -178.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 146.74 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 99' ' ' VAL . 38.9 m-80 62.71 27.75 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 30.1 t -128.98 144.18 51.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 145.29 79.19 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.603 -1.832 . . . . 0.0 112.355 0.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.547 HG21 HD13 ' A' ' 37' ' ' LEU . 40.5 t -77.44 124.96 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.8 p -87.49 131.78 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 35' ' ' PHE . 84.5 mt -128.48 146.39 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.9 tpt -111.31 118.91 37.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 80' ' ' VAL . 58.0 t -111.53 131.21 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.49 143.71 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.617 ' HG3' HG11 ' A' ' 80' ' ' VAL . 54.0 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 28' ' ' LYS . 11.8 t -129.78 162.65 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' N ' HG12 ' A' ' 27' ' ' VAL . 26.0 mmtp -96.32 105.93 18.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' C ' ' A' ' 78' ' ' ARG . 15.5 tp -59.09 139.39 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.67 21.58 78.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -147.88 127.81 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.13 130.66 39.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.34 39.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.52 151.02 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD2' HD13 ' A' ' 101' ' ' ILE . 35.5 m-85 -135.49 112.04 9.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 70' ' ' HIS . 4.1 tp -88.78 124.51 34.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.5 pt? -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -80.68 99.4 8.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -125.6 137.83 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -84.22 37.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB3' HD21 ' A' ' 47' ' ' LEU . 62.6 mm-40 -133.06 124.13 27.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' ASP . 17.7 p -90.15 -64.9 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-20 -35.41 125.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.7 mt -83.75 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 t -53.38 -43.47 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 7.4 m -55.88 -23.67 32.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 41' ' ' GLU . 30.6 mt -99.84 166.85 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 49' ' ' ALA . 7.0 m -126.07 160.56 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -135.72 124.72 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -150.18 135.12 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.808 HG12 HG22 ' A' ' 85' ' ' VAL . 65.9 mt -142.96 140.97 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -140.13 114.21 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.48 169.47 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -16.4 37.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -91.74 2.94 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.65 8.87 72.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -89.27 110.31 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 141.87 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.773 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 39.2 mp0 -114.69 142.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.74 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 93.43 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.871 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.8 p -104.05 149.19 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -144.99 127.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -78.01 135.09 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 71' ' ' ILE . 13.6 ptmt -141.85 175.24 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.76 120.29 41.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 36' ' ' LEU . 95.3 mt -90.58 154.02 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -175.84 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 112.372 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 54.81 27.84 9.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 62.29 51.79 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.526 ' HB3' HD11 ' A' ' 36' ' ' LEU . 43.6 m-70 -136.44 160.38 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' LYS . 87.6 mt -145.05 136.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.08 -167.01 11.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.3 tt -117.39 146.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 111.083 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -121.0 115.4 23.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -150.09 165.91 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 14.0 mt -113.64 106.7 53.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 131.93 22.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.304 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.638 ' C ' HD11 ' A' ' 29' ' ' LEU . 55.6 mmm-85 -96.87 -28.12 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' N ' HD11 ' A' ' 29' ' ' LEU . 25.3 mm-40 -126.9 -179.82 5.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 103' ' ' VAL . 5.5 m -123.7 147.66 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.52 -135.01 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.55 104.43 14.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -97.25 140.11 32.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.57 128.65 56.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.808 HG22 HG12 ' A' ' 51' ' ' ILE . 17.5 t -107.31 112.48 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -83.08 103.84 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.649 HD11 HG12 ' A' ' 85' ' ' VAL . 30.2 mm -109.33 126.35 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -141.88 171.07 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -125.7 105.66 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 62.34 26.26 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.18 16.74 34.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' HIS . 63.0 m-80 -130.87 102.56 6.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ASN . 7.7 m-70 -36.49 151.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 m -115.77 174.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 144.65 56.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.8 m120 70.56 27.27 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 22.0 t -133.6 144.99 54.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.8 Cg_endo -69.75 156.11 92.91 Favored 'Cis proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.393 -0.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 37' ' ' LEU . 14.8 t -84.86 136.92 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 p -99.28 121.48 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.598 HD13 ' CD2' ' A' ' 35' ' ' PHE . 74.0 mt -125.71 143.11 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.1 tpt -103.97 121.19 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 80' ' ' VAL . 53.2 t -113.7 134.34 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.0 m -151.11 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 28' ' ' LYS . 27.4 t -138.55 156.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 27' ' ' VAL . 13.6 mmmm -91.49 120.6 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.817 HD13 HG13 ' A' ' 80' ' ' VAL . 8.4 tp -64.02 146.84 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.28 22.75 59.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.0 m -137.59 134.44 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 112.1 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.17 162.9 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 66' ' ' LEU . 12.8 t70 -97.99 157.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HG21 ' A' ' 101' ' ' ILE . 96.6 m-85 -139.62 124.03 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -97.16 111.94 23.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -121.55 128.15 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.66 97.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -126.99 132.52 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 m -84.42 44.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 mm-40 -137.45 126.45 24.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 33.0 p -97.56 -65.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 3.5 p30 -34.57 114.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.02 -58.86 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 p -47.32 -54.04 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -48.35 -34.54 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 41' ' ' GLU . 64.5 mt -90.57 168.53 11.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -129.75 153.69 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -125.22 123.63 39.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -148.61 138.64 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 60.2 mt -138.68 136.31 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.28 102.9 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.82 169.29 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_endo -69.76 -17.06 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.373 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.92 7.17 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.93 23.06 64.74 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.42 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -102.74 114.66 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.77 148.82 32.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.701 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 mm-40 -127.14 143.57 47.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.71 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.8 p -101.71 144.23 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -142.03 128.93 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.744 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 17.0 mt -85.04 137.75 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' ILE . 19.2 ptpt -146.4 164.56 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -89.67 127.06 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD21 ' OD2' ' A' ' 34' ' ' ASP . 59.8 mt -96.99 155.05 37.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.621 0.724 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 164.06 36.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 40.3 t30 73.69 28.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 m120 61.31 41.51 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 15.6 m-70 -127.76 165.55 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 64' ' ' LYS . 19.8 mt -141.34 141.29 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.68 174.5 26.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 35' ' ' PHE . 10.3 tt -107.14 155.7 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -132.87 119.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 51' ' ' ILE . 20.7 p90 -155.51 154.37 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 70.4 mt -97.61 102.81 14.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 Cg_endo -69.75 96.45 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -33.9 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.706 ' CA ' HD11 ' A' ' 29' ' ' LEU . 15.0 tt0 -122.08 174.19 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 HD13 ' A' ' 29' ' ' LEU . 27.9 m -117.13 162.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.95 -133.34 7.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.67 101.43 10.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -93.57 125.85 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -100.86 114.69 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.746 HG12 HD11 ' A' ' 87' ' ' ILE . 10.2 t -93.07 115.46 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 m -87.12 107.17 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.746 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -115.19 114.77 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -131.85 171.91 12.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -125.21 106.51 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 60.74 27.08 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.57 17.09 34.6 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' HIS . 27.7 m-80 -130.77 101.97 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.7 m-70 -37.44 146.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 87' ' ' ILE . 34.0 m -108.46 -177.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.09 146.02 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 99' ' ' VAL . 40.6 m-80 65.21 29.18 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.4 t -133.91 144.89 53.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 154.21 93.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.357 0.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.9 t -88.41 120.62 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -86.53 130.65 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 35' ' ' PHE . 51.5 mt -130.45 141.07 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -103.6 126.24 50.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 80' ' ' VAL . 95.9 t -119.76 143.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -154.43 149.3 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.461 ' OE1' HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 2.6 t -140.84 159.81 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -92.69 114.71 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.968 HD11 ' C ' ' A' ' 78' ' ' ARG . 14.7 tp -72.24 114.01 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.7 4.97 39.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 118.21 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' CG1' ' A' ' 27' ' ' VAL . . . -123.38 135.23 54.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.04 148.33 25.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 38.1 m-85 -129.04 125.14 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.83 112.32 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -120.61 133.66 55.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.42 102.19 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -128.77 166.81 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m -111.39 30.05 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' CB ' HD11 ' A' ' 47' ' ' LEU . 6.3 mm-40 -122.0 122.98 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.8 t -90.04 -47.36 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 42' ' ' THR . 3.4 t70 -49.01 170.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.644 HD21 ' C ' ' A' ' 64' ' ' LYS . 2.6 mp -134.7 -43.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.9 p -72.29 -36.3 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -71.71 -8.58 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 41' ' ' GLU . 90.2 mt -103.76 170.45 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -121.45 149.25 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.562 ' HB2' ' CG ' ' A' ' 63' ' ' LEU . . . -138.32 117.0 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 m -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 61' ' ' CYS . 90.1 mt -131.85 138.84 51.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.1 tppt? -140.14 125.33 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -66.21 167.16 13.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.77 -11.47 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.742 2.295 . . . . 0.0 112.288 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 m -98.68 9.76 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.69 25.2 65.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 mmm180 -107.42 112.56 25.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.36 153.62 43.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.44 144.33 52.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 96.88 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.391 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.872 ' HB2' HD11 ' A' ' 73' ' ' ILE . 20.7 p -98.41 141.32 31.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -136.18 119.96 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.562 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 78.6 mt -78.73 143.46 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' C ' HD21 ' A' ' 44' ' ' LEU . 13.4 ptmt -147.77 176.16 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -110.25 117.91 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.89 154.27 49.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 50.68 29.9 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 59.39 45.91 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -127.75 164.32 22.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 37' ' ' LEU . 77.8 mt -141.22 146.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.8 167.87 34.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.3 tt -101.04 154.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 t -129.44 114.21 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -149.92 161.81 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.4 mt -106.65 100.92 33.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.85 139.46 39.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.968 ' C ' HD11 ' A' ' 29' ' ' LEU . 15.5 mmm180 -111.44 -29.93 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.563 ' N ' HD11 ' A' ' 29' ' ' LEU . 17.8 tp10 -111.52 152.83 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.824 HG11 ' HG3' ' A' ' 105' ' ' GLN . 32.7 m -105.64 134.16 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 -139.94 7.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.36 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -96.17 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -121.09 116.52 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 87' ' ' ILE . 12.4 t -95.35 112.57 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.429 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.1 m -87.68 104.97 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.925 HD11 HG12 ' A' ' 85' ' ' VAL . 13.0 mm -113.98 125.27 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 94' ' ' VAL . 17.9 mttt -137.86 177.38 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -131.44 104.0 6.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 61.31 30.31 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.25 42.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -130.78 104.93 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -39.34 144.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 88' ' ' LYS . 17.4 m -103.15 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.53 140.98 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.609 ' O ' HG22 ' A' ' 99' ' ' VAL . 21.4 m-80 68.67 29.57 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.5 t -131.58 143.15 47.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.74 151.8 91.7 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.343 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 96' ' ' ASN . 25.7 t -87.41 131.57 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.8 p -88.64 126.56 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 81.6 mt -127.51 143.64 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -108.62 124.63 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.66 125.21 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.21 156.14 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.824 ' HG3' HG11 ' A' ' 80' ' ' VAL . 74.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.6 t -123.61 161.88 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -94.7 136.89 34.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 78' ' ' ARG . 8.8 tp -87.08 121.72 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.48 -2.78 57.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -123.08 153.63 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 118.6 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -125.29 138.91 54.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.31 151.24 28.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' A' ' 27' ' ' VAL . 68.3 m-85 -131.29 118.24 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 70' ' ' HIS . 2.7 tp -85.53 122.04 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? -133.28 139.81 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.38 97.79 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pt -122.03 128.6 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 m -84.53 37.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -129.47 129.25 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 42' ' ' THR . 12.6 t -118.03 39.64 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 3.3 m-20 -130.75 69.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.9 mt -36.56 -59.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -50.83 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 18.9 m -48.01 -19.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.33 162.29 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 ' N ' ' A' ' 49' ' ' ALA . 6.4 m -121.72 166.24 14.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.527 ' N ' HG22 ' A' ' 48' ' ' THR . . . -138.02 116.22 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -145.35 133.57 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 61' ' ' CYS . 62.7 mt -136.23 145.23 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HE2' ' CA ' ' A' ' 56' ' ' GLY . 14.4 tptm -143.86 107.93 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.903 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.03 169.88 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.903 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.81 -18.51 36.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.627 2.218 . . . . 0.0 112.364 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.4 m -96.65 5.86 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.423 ' CA ' ' HE2' ' A' ' 52' ' ' LYS . . . 85.33 24.06 45.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -98.16 117.56 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.4 142.98 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 79.4 mt-10 -126.81 143.84 48.02 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 86.7 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.9 p -90.82 145.37 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.44 119.96 11.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 44' ' ' LEU . 15.1 mt -77.54 140.36 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.5 161.39 40.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -90.94 132.74 35.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -105.71 155.03 38.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.86 17.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.2 t-20 69.3 31.09 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 59.44 32.7 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 5.7 m-70 -116.46 164.72 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 70' ' ' HIS . 55.3 mt -144.28 140.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.38 165.99 30.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.49 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 61' ' ' CYS . 9.8 tt -99.35 157.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -130.56 118.21 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 10.7 p90 -153.35 156.09 37.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 48.5 mt -99.94 100.26 10.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 29' ' ' LEU . 1.7 mpt_? -89.91 -35.63 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.5 tp10 -112.07 153.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 103' ' ' VAL . 27.1 m -104.17 143.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.2 -134.93 5.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -107.65 106.6 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.598 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 9.8 m80 -98.84 143.36 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 mt -112.48 115.01 27.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 87' ' ' ILE . 12.1 t -94.09 118.54 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -88.78 107.09 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.524 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -115.02 118.54 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -136.53 173.17 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -127.72 106.66 9.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 60.77 27.34 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.14 18.43 33.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' HIS . 32.2 m-20 -131.02 99.62 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.759 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 5.7 m-70 -35.92 144.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 87' ' ' ILE . 20.0 m -108.3 176.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.96 149.45 47.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 37.2 m-80 61.51 29.66 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.2 t -132.7 141.31 40.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.76 158.16 91.29 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 26.3 t -89.58 131.09 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.7 p -89.54 117.54 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.504 ' CG2' ' CE1' ' A' ' 35' ' ' PHE . 68.3 mt -116.89 145.53 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 tpt -113.73 119.97 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 80' ' ' VAL . 58.5 t -112.0 143.78 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -155.71 144.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.631 HE22 HG21 ' A' ' 80' ' ' VAL . 1.1 pm0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.73 156.11 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -90.34 117.36 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' ARG . 11.5 tp -71.88 136.61 47.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.93 18.69 78.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.409 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -147.93 135.08 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.29 128.64 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.0 127.76 34.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.75 156.58 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 97.0 m-85 -138.8 117.51 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.25 115.49 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 71' ' ' ILE . 1.2 pt? -126.66 142.57 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.55 100.96 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.6 pt -126.65 142.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.47 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 4.0 m -85.35 27.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 6.8 mp0 -125.86 120.45 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 5.6 t -100.66 -28.01 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.33 105.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.11 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -46.47 -51.37 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -48.67 -38.51 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.631 ' CD2' HG11 ' A' ' 94' ' ' VAL . 63.0 mt -88.52 157.6 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.61 148.56 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.51 122.95 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -152.24 139.43 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 ' HB3' ' A' ' 61' ' ' CYS . 78.2 mt -139.82 142.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -141.49 105.34 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.73 169.33 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.72 -18.88 36.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 m -97.79 9.45 42.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.65 17.62 67.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 5.0 mmm180 -90.08 114.09 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.5 137.48 46.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 86.7 mt-10 -121.94 143.61 39.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 92.72 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.609 ' HB3' HD12 ' A' ' 51' ' ' ILE . 17.6 p -100.74 144.05 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -142.9 123.62 14.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 mt -83.49 135.78 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -141.75 160.65 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -84.53 133.81 34.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -105.94 154.59 39.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.76 29.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.25 28.66 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.49 47.23 8.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.402 ' C ' HG13 ' A' ' 71' ' ' ILE . 9.0 m-70 -133.51 165.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.5 mt -143.32 143.8 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.17 167.11 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.446 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.501 HD13 HG11 ' A' ' 85' ' ' VAL . 7.3 tt -97.77 149.08 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -125.7 114.43 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 9.5 p90 -150.95 167.93 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.7 mt -112.28 101.75 52.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.544 0.688 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.1 Cg_endo -69.66 133.55 26.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.615 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.3 -33.6 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 3.6 tp10 -114.23 151.83 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG11 ' CG ' ' A' ' 105' ' ' GLN . 33.1 m -101.01 141.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.59 -140.83 8.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -102.03 105.89 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 8.2 m80 -98.45 140.33 32.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 98' ' ' PRO . 22.4 mt -116.0 114.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 HG12 ' A' ' 51' ' ' ILE . 16.9 t -92.64 117.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.0 m -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 94' ' ' VAL . 26.9 mm -117.26 110.53 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.96 170.8 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -123.56 106.41 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 61.27 26.93 16.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.28 39.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.0 m-80 -129.79 100.12 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.9 m-70 -34.5 137.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG11 ' CD2' ' A' ' 47' ' ' LEU . 20.2 m -100.4 178.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.98 146.76 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 62.32 28.71 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.551 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.9 t -129.86 141.84 43.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.73 154.48 93.22 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.358 -0.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 t -78.09 127.38 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 p -91.54 116.26 28.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.75 150.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.7 tpt -113.2 116.77 30.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -102.77 131.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 151.19 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' HG11 ' A' ' 80' ' ' VAL . 40.6 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 28' ' ' LYS . 18.1 t -118.06 157.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 27' ' ' VAL . 37.9 mmtm -92.92 98.68 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.552 HD22 HG13 ' A' ' 80' ' ' VAL . 13.3 tp -55.25 139.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.58 26.97 73.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -153.84 119.73 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.55 129.7 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.8 136.75 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.8 147.44 24.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 93.4 m-85 -127.24 148.06 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -113.79 103.15 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -105.6 140.02 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.72 103.48 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.4 pt -134.15 147.24 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 m -92.7 34.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -127.53 120.26 27.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 p -86.8 -49.35 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -39.84 153.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.8 mt -116.96 -52.77 2.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -65.91 -41.58 91.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -59.17 -22.37 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.65 161.08 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 m -117.72 151.71 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -126.36 125.63 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -151.55 138.59 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 HG13 ' A' ' 85' ' ' VAL . 54.8 mt -141.13 138.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -138.07 121.35 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.819 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -61.3 165.86 6.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.4 Cg_endo -69.75 -11.28 30.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -99.37 9.34 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.88 25.3 64.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -106.72 109.15 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.68 157.33 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -138.63 142.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.89 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.867 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.8 p -113.65 147.53 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -133.08 143.67 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 16.2 mt -97.32 125.52 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' ILE . 9.2 ptmt -131.09 176.14 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -109.16 116.95 32.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 82.0 mt -86.92 152.51 53.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.63 27.35 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 63.37 48.18 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m-70 -132.47 159.02 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 64' ' ' LYS . 54.4 mt -145.01 138.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.23 -167.73 12.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 61' ' ' CYS . 8.6 tt -110.69 164.17 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 p -136.4 109.88 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 16.9 p90 -150.63 173.15 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 15.3 mt -120.53 102.29 45.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.89 121.43 8.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -90.29 -24.43 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' HD11 ' A' ' 29' ' ' LEU . 21.6 mt-10 -118.99 165.68 13.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 103' ' ' VAL . 31.2 m -114.67 138.37 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.92 -136.41 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -105.63 99.31 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -89.68 125.07 35.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.86 118.53 31.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.6 HG12 HD11 ' A' ' 87' ' ' ILE . 11.8 t -98.6 114.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -84.84 106.96 16.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.6 HD11 HG12 ' A' ' 85' ' ' VAL . 8.3 mm -116.1 118.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 19.1 mttt -134.3 171.04 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -125.47 104.42 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 62.24 28.63 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.37 17.29 40.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -130.21 103.35 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 88' ' ' LYS . 17.3 m-70 -38.85 146.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' ILE . 28.4 m -111.07 176.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.51 56.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.8 m-80 67.88 29.18 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 48.4 t -133.65 142.64 44.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.8 146.43 82.24 Favored 'Cis proline' 0 C--N 1.341 0.134 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.274 0.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 96' ' ' ASN . 12.9 t -82.63 117.73 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -85.46 129.88 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.78 148.17 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 tpt -104.17 124.31 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 80' ' ' VAL . 58.4 t -116.84 130.76 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.78 146.4 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -129.39 154.96 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.35 127.65 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD11 ' N ' ' A' ' 79' ' ' GLU . 10.0 tp -73.2 147.67 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.07 18.63 57.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.449 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 m -141.81 119.1 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.22 124.66 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.39 153.76 47.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 101' ' ' ILE . 26.5 m-85 -133.28 123.71 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 66' ' ' LEU . 5.1 tp -91.54 108.84 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -120.14 136.37 54.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.38 96.96 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -125.17 130.06 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.0 m -80.95 44.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.8 mp0 -137.74 115.03 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -88.11 -63.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.6 m-20 -38.72 103.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.47 -57.87 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.0 m -50.41 -41.92 52.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.7 m -57.78 -29.1 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 94' ' ' VAL . 97.1 mt -93.5 173.61 7.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -124.26 154.62 39.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.05 119.91 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -151.87 137.95 18.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 85' ' ' VAL . 70.7 mt -140.98 142.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.5 tppt? -140.44 131.96 27.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.858 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -73.39 168.87 21.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.708 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.858 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.85 -13.72 34.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -98.22 11.08 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 75.48 25.16 68.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -105.56 108.86 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 146.27 54.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -126.97 143.81 48.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.74 0.781 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 111.43 2.81 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.614 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.5 p -112.49 151.93 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -144.98 128.73 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 mt -95.09 136.08 35.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' ILE . 22.4 pttt -144.66 166.85 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 114.66 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HD12 ' A' ' 36' ' ' LEU . 16.9 mt -69.75 151.35 96.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.3 9.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.617 2.211 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.523 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 17.1 m120 -74.78 59.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 68' ' ' ASN . 7.5 m120 33.24 47.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 34.0 m-70 -147.01 179.56 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 64' ' ' LYS . 47.3 mt -146.89 127.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.82 -164.82 11.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.456 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 61' ' ' CYS . 5.8 tt -120.59 157.34 23.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.3 t -133.26 109.88 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 8.6 p90 -146.6 159.99 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 59.1 mt -105.85 105.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 126.99 13.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -97.82 -5.12 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.624 ' N ' HD11 ' A' ' 29' ' ' LEU . 37.4 mt-10 -145.12 165.95 26.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 105' ' ' GLN . 28.1 m -114.01 138.53 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.45 -134.95 5.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.81 104.88 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -96.36 131.97 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.6 118.32 36.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 87' ' ' ILE . 38.5 t -98.71 117.27 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 m -85.52 109.95 18.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.742 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -119.33 112.57 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -128.17 172.27 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -127.39 105.83 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 62.88 25.56 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.05 16.02 36.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 20.3 m-80 -130.88 102.66 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -34.48 144.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 47' ' ' LEU . 25.6 m -105.43 178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.57 147.58 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.409 ' O ' HG22 ' A' ' 99' ' ' VAL . 65.5 m-80 63.04 27.94 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.1 t -129.83 144.03 51.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.815 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.3 Cg_endo -69.77 153.02 92.84 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.6 t -85.44 121.26 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.9 m -88.44 122.59 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.605 HG21 ' CE2' ' A' ' 35' ' ' PHE . 46.4 mt -124.41 141.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.6 tpp -99.46 120.37 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.62 138.01 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.05 161.55 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG2' HG11 ' A' ' 80' ' ' VAL . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.836 0.35 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.6 t -134.68 160.3 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -93.97 118.68 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.9 126.62 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.64 9.36 61.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -135.13 162.54 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.98 110.0 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . . . -111.61 148.51 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -96.05 145.27 25.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 85.8 m-85 -120.9 113.54 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.24 111.93 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.2 133.3 48.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.94 101.93 13.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 41' ' ' GLU . 5.7 pt -129.89 137.89 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -78.31 46.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.2 mt-10 -132.5 121.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 62.9 m -99.44 -72.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -36.15 108.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 65' ' ' ARG . 4.3 mp -73.84 -59.72 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 p -47.04 -42.03 17.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -57.96 -33.51 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 41' ' ' GLU . 67.1 mt -89.03 165.92 14.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.39 152.26 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.13 117.36 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -152.64 141.69 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG12 HG13 ' A' ' 85' ' ' VAL . 64.1 mt -145.46 136.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -137.14 129.67 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.824 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -70.82 168.45 20.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.824 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.8 -13.36 34.45 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -98.43 11.39 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 74.4 24.66 72.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.78 109.25 20.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 150.74 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -130.44 144.52 53.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.83 3.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -119.53 140.2 50.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -138.78 122.29 17.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.5 mt -82.33 133.46 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -145.05 158.28 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HD3' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -85.1 134.29 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.01 154.73 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.04 36.04 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.674 2.249 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.5 m-20 72.95 33.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 55.79 41.3 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 7.1 m-70 -127.03 168.36 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.2 mt -143.49 148.58 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.82 162.75 31.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 61' ' ' CYS . 10.8 tt -104.46 152.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -126.79 126.58 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 19.3 p90 -158.5 153.67 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.94 105.35 41.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.63 6.55 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.267 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.05 -31.52 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -115.91 178.87 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 103' ' ' VAL . 23.2 m -125.11 141.38 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.54 -138.89 7.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -103.21 99.63 9.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -89.77 142.02 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.0 116.55 28.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.994 HG12 HD11 ' A' ' 87' ' ' ILE . 19.8 t -92.94 112.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.681 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -81.49 109.8 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.994 HD11 HG12 ' A' ' 85' ' ' VAL . 12.1 mm -122.67 114.96 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -129.52 174.89 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -128.44 106.46 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 60.88 26.0 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.94 15.55 38.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' HIS . 14.0 m-80 -130.53 102.43 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ASN . 20.1 m-70 -34.62 143.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.7 m -103.32 -177.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 145.42 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 65.35 25.01 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.563 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 18.1 t -127.68 145.14 53.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 97' ' ' SER . 52.8 Cg_endo -69.84 147.93 85.83 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.331 0.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.07 129.7 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 p -90.73 122.83 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 35' ' ' PHE . 97.9 mt -125.81 146.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.0 tpt -108.87 127.13 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 80' ' ' VAL . 44.4 t -120.2 141.02 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 m -154.21 156.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -115.44 118.32 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -117.62 155.45 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 -99.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -75.28 79.5 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p 37.99 53.41 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.6 123.15 5.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.403 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.569 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -73.13 142.14 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 127.13 14.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.65 -119.46 4.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -174.79 143.81 0.83 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.729 0.776 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -173.29 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.702 2.268 . . . . 0.0 112.241 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -75.96 -55.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -70.25 150.24 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.4 123.63 31.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -129.05 18.8 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.3 pt -41.19 143.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.61 43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.13 115.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.64 165.02 25.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -86.9 35.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -44.9 169.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -84.48 42.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.5 m -140.35 162.26 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.2 tt0 -123.8 129.5 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 28' ' ' LYS . 45.6 t -130.12 159.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 27' ' ' VAL . 42.8 mmtm -90.48 106.08 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 78' ' ' ARG . 9.5 tp -66.92 134.07 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 16.25 66.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -148.95 127.93 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 111.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.98 135.34 54.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.26 151.29 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 98.6 m-85 -131.25 123.43 28.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 66' ' ' LEU . 4.5 tp -92.43 108.0 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.0 pt? -120.36 140.2 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.55 98.19 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -122.84 139.01 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.478 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 42.3 m -83.53 37.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' CD ' ' C ' ' A' ' 40' ' ' SER . 8.8 mp0 -131.18 118.17 20.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 m -87.63 -61.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -38.49 122.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 65' ' ' ARG . 1.7 mt -87.93 -62.68 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -52.7 -46.02 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -53.44 -17.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.533 HD22 HG11 ' A' ' 94' ' ' VAL . 87.4 mt -101.75 162.89 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -113.24 153.62 28.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -127.23 116.77 21.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -149.0 141.5 24.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 85' ' ' VAL . 14.8 mt -141.9 149.07 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.0 tptt -145.22 106.37 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.64 169.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.77 -19.83 35.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m -94.58 5.04 53.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 82.86 25.13 50.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -102.64 110.32 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.44 148.82 22.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -133.88 143.97 49.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 106.6 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.739 ' HB2' HD11 ' A' ' 73' ' ' ILE . 26.8 p -110.7 144.52 39.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.64 122.15 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -89.14 133.56 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HE3' ' CB ' ' A' ' 74' ' ' SER . 5.3 ptpt -137.67 161.48 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.11 118.05 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 36' ' ' LEU . 85.2 mt -89.46 153.77 48.39 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.8 30.36 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 59.38 52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -136.99 160.89 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.92 134.0 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.34 27.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.9 tt -99.65 156.27 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.473 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t -136.26 110.26 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.7 p90 -136.25 163.3 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.1 mt -104.39 93.22 5.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.2 Cg_endo -69.82 129.57 17.75 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.605 ' O ' HD21 ' A' ' 29' ' ' LEU . 17.5 mmm180 -99.26 -34.81 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 8.3 tp10 -106.99 154.68 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 105' ' ' GLN . 30.7 m -105.59 140.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.31 -140.56 9.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.564 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -100.21 104.25 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.597 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 6.9 m80 -94.66 144.76 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.44 117.25 29.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.695 HG12 HD11 ' A' ' 87' ' ' ILE . 14.8 t -97.91 119.62 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.55 103.94 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 HG12 ' A' ' 85' ' ' VAL . 16.6 mm -112.67 113.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -131.12 171.18 13.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -124.45 106.6 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.99 29.55 19.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.09 18.49 39.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' HIS . 37.5 m-80 -130.76 102.59 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.8 m-70 -37.97 141.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 87' ' ' ILE . 18.7 m -103.77 178.7 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.32 54.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 68.77 25.73 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.565 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 19.6 t -126.73 145.06 52.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.673 0.749 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.4 Cg_endo -69.78 144.37 76.49 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.338 -0.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.23 126.6 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.3 p -88.88 135.57 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.4 mt -137.85 142.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.5 tpt -101.78 123.72 46.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.59 128.01 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 26' ' ' GLN . 25.9 m -137.11 145.2 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.596 ' HG3' HG11 ' A' ' 80' ' ' VAL . 68.2 mt-30 -70.31 127.69 33.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -71.46 -53.01 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -127.44 146.03 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 34.5 mt -75.41 99.31 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.6 134.54 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -87.23 95.66 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.3 t 61.26 42.72 11.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -172.74 54.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 103.74 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.8 p -161.96 139.65 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.7 m -50.02 174.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -87.46 140.87 29.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -98.98 154.46 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.92 121.48 13.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -43.54 138.08 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -133.72 168.7 18.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.24 56.28 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -76.14 147.33 79.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.513 0.673 . . . . 0.0 111.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 149.41 66.49 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.89 176.1 48.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -87.92 143.91 34.01 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' THR . 53.0 Cg_endo -69.75 -5.25 15.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.19 85.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' PRO . 38.5 p -92.33 132.4 36.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.0 146.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -69.96 -51.42 32.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 pt -48.53 170.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -132.49 103.8 6.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.61 -44.12 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.35 87.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 t -64.9 78.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -124.58 166.65 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -105.92 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.85 146.25 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 m -73.73 137.47 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -103.88 124.15 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.2 149.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -89.84 103.06 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 78' ' ' ARG . 12.5 tp -60.19 140.04 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.99 19.99 79.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -148.12 137.7 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 111.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.6 136.97 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.93 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 101' ' ' ILE . 97.5 m-85 -133.7 125.22 28.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tp -92.57 111.63 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -121.33 129.98 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.1 t70 -78.19 99.76 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 pt -131.14 138.24 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.435 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 67.8 p -85.82 29.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 3.3 mp0 -120.45 115.99 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -115.04 38.83 3.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LEU . 13.3 m-20 -127.13 72.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' ASP . 4.6 mp -36.67 -69.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -42.1 -64.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.4 m -47.13 -29.55 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 41' ' ' GLU . 27.1 mt -95.93 156.9 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -118.25 155.54 30.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -128.55 122.1 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -145.4 142.0 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 85' ' ' VAL . 67.3 mt -143.46 128.21 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -128.09 103.75 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.33 168.45 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.736 . . . . 0.0 111.042 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.849 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.0 Cg_endo -69.68 -18.34 37.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -96.07 5.63 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.46 53.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -101.66 118.54 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.78 150.88 48.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -130.15 141.86 43.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.704 0.764 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 91.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.86 ' HB2' HD11 ' A' ' 73' ' ' ILE . 11.3 p -96.43 137.48 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.09 117.42 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -77.81 133.16 38.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -143.53 155.9 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -82.85 136.84 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 34.0 mt -106.25 155.49 38.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.726 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.44 21.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 66.43 30.8 8.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.8 50.02 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 11.0 m-70 -134.43 166.57 22.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 72' ' ' GLY . 55.0 mt -143.95 153.05 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -160.1 175.61 36.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.439 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.4 tt -109.72 146.22 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -126.68 118.76 25.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.3 p90 -151.28 158.52 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mt -102.42 97.6 9.13 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 123.07 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.413 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.95 -28.24 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -121.62 170.32 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 103' ' ' VAL . 26.9 m -118.67 143.12 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.7 -144.65 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -100.58 99.31 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -92.13 143.47 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.5 mt -114.38 114.3 25.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 HG12 ' A' ' 51' ' ' ILE . 17.3 t -93.19 112.62 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 110.09 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mm -120.76 115.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 25.9 mttt -133.86 172.26 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -128.92 109.67 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 61.3 27.13 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.42 16.56 45.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' HIS . 44.7 m-80 -130.83 103.55 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-70 -36.39 143.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 47' ' ' LEU . 17.0 m -104.28 -176.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.93 147.12 49.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 38' ' ' ASP . 76.7 m-20 62.08 29.85 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 38.1 t -131.66 143.33 48.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.78 150.85 90.87 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.304 0.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.86 118.25 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -82.68 124.67 30.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 35' ' ' PHE . 77.3 mt -126.84 139.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.4 tpt -104.99 117.4 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 80' ' ' VAL . 60.5 t -105.62 135.53 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.24 161.04 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 80' ' ' VAL . 67.5 mt-30 -90.06 118.71 29.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -39.54 120.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' ILE . 21.2 tt0 -64.18 106.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 mt 34.05 45.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.66 -160.63 39.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.529 ' OD1' HD11 ' A' ' 8' ' ' ILE . 1.4 m-20 -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.8 p -39.52 134.11 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 142.61 7.05 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 -46.67 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.394 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -154.84 161.8 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.6 t -102.91 90.0 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -63.99 -45.46 88.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -77.73 161.66 27.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.27 -173.99 40.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -106.45 164.45 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -163.67 143.95 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.45 153.1 24.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.441 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.4 pt -45.73 149.4 1.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 178.04 4.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.51 -138.44 2.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -127.43 143.59 47.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.88 37.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.617 2.211 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.7 104.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.9 m -135.39 108.16 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 156.37 38.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -95.79 164.4 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.92 127.74 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -51.72 146.68 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -162.92 165.42 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -100.97 160.03 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -91.06 28.84 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.18 -56.39 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -93.55 168.4 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -61.21 139.69 58.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -88.67 136.41 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -99.37 122.06 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.23 148.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -83.18 104.01 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 79' ' ' GLU . 12.0 tp -58.63 121.38 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.87 47.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 m -144.75 121.29 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.42 115.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.54 135.45 55.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.95 154.1 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 57.8 m-85 -137.83 122.74 18.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 66' ' ' LEU . 12.3 tp -89.47 116.54 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.9 pt? -125.01 145.0 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.14 96.7 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 41' ' ' GLU . 3.3 pt -118.82 126.09 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -63.13 -10.57 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 39' ' ' ILE . 13.2 mm-40 -104.29 125.47 50.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 p -89.34 -61.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.8 106.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.5 mp -73.31 -47.62 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.4 m -43.98 -59.38 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -53.7 -22.98 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 94' ' ' VAL . 89.1 mt -97.68 161.78 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -109.36 157.73 18.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -133.96 123.24 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -148.5 139.44 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 HG12 HG22 ' A' ' 85' ' ' VAL . 57.3 mt -145.43 138.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -147.97 121.99 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.812 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -48.39 167.64 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.812 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.68 -15.38 37.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -87.78 -1.6 58.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.35 19.82 40.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -60.84 163.37 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 58' ' ' ASP . 10.9 mm-40 -141.3 141.07 22.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 93.11 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 73' ' ' ILE . 28.5 p -105.55 147.78 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 62' ' ' LEU . 1.1 tm? -143.8 122.31 12.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.4 mt -79.97 127.19 31.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' ILE . 4.1 ptmt -144.0 176.88 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 71' ' ' ILE . 5.7 tpt180 -93.42 143.48 26.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.579 ' CD1' HD12 ' A' ' 36' ' ' LEU . 89.0 mt -97.22 152.43 38.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.569 0.7 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.298 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.3 m120 -74.89 59.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER 34.16 42.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 31.7 m-70 -143.78 -174.99 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.766 HD11 HH11 ' A' ' 65' ' ' ARG . 35.0 mt -143.68 137.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' HG ' ' A' ' 66' ' ' LEU . . . -146.63 -175.22 19.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.4 tt -111.44 151.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.78 109.28 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -142.19 164.18 30.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 45.5 mt -110.7 105.87 57.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 55.0 Cg_endo -69.65 128.89 16.78 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.46 -7.59 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 -140.32 177.97 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 103' ' ' VAL . 18.0 m -125.25 140.66 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.26 -137.38 6.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -107.91 102.37 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -90.29 143.15 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.41 120.64 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 87' ' ' ILE . 17.8 t -99.67 125.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -90.52 107.28 19.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 85' ' ' VAL . 16.7 mm -118.42 109.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 11.9 mttt -130.16 172.43 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -125.21 106.08 9.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 61.42 28.82 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.8 15.64 45.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' HIS . 68.5 m-80 -129.35 101.46 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 25.5 m-70 -35.22 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 47' ' ' LEU . 18.8 m -107.76 -176.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.74 146.81 51.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 62.31 30.15 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 37.3 t -132.48 142.23 44.15 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.704 0.764 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.83 161.04 87.19 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.621 -1.825 . . . . 0.0 112.402 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.3 138.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -102.62 110.72 22.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.6 mt -110.77 146.67 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.5 tpt -110.55 117.19 32.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 80' ' ' VAL . 59.7 t -108.8 140.87 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.7 144.91 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.17 98.15 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.3 m -52.73 -64.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 68.91 39.69 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.0 mm -117.24 119.96 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -149.42 116.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.45 101.12 11.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.3 p -71.08 102.01 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.82 74.39 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.86 12.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.292 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -102.84 80.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.2 t -78.15 121.3 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.31 127.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -69.32 117.27 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 64.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -160.96 169.11 23.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -91.69 3.87 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.55 55.52 24.62 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.557 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -71.94 148.03 91.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.47 -132.54 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -134.04 141.73 40.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.76 2.307 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -113.6 -51.94 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.6 p -82.6 139.87 33.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.97 97.34 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -40.22 109.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD11 ' OD2' ' A' ' 20' ' ' ASP . 12.0 pt -62.35 -22.75 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.05 43.94 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -114.91 -53.54 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -58.12 -55.41 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.5 p 52.94 26.93 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -71.21 179.43 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 24' ' ' CYS . 4.8 tmm_? -80.14 134.5 36.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 21.3 p -160.03 136.78 9.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.3 m -120.44 128.98 53.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -94.42 115.94 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.29 153.24 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -92.67 137.43 32.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 79' ' ' GLU . 8.1 tp -79.49 140.97 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.71 76.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 76' ' ' ILE . 66.2 m -137.3 135.52 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 107.59 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.93 140.0 49.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.97 158.3 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 75' ' ' PHE . 94.1 m-85 -136.41 123.12 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -93.35 104.78 16.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -115.79 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -90.98 101.39 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 pt -128.23 137.11 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -84.24 34.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.7 mm-40 -130.17 118.81 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 43' ' ' ASP . 6.6 t -93.06 -44.46 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 42' ' ' THR . 8.2 t0 -51.72 113.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 42' ' ' THR . 2.9 mp -78.97 -60.56 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -46.81 -50.54 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -52.8 -34.24 52.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 94' ' ' VAL . 96.3 mt -87.45 160.93 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 49' ' ' ALA . 11.1 m -114.16 157.0 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 48' ' ' THR . . . -130.4 119.45 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -152.16 138.37 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 85' ' ' VAL . 20.0 mt -137.93 132.89 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -134.37 103.1 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.84 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.278 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -96.72 9.02 42.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.05 62.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.403 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -100.14 115.47 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 155.09 34.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -139.02 143.69 38.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 101.01 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.75 ' HB2' HD11 ' A' ' 73' ' ' ILE . 12.9 p -108.2 145.08 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.66 128.16 19.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.7 mt -92.42 132.15 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 71' ' ' ILE . 10.1 ptpt -142.09 170.26 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -95.55 129.15 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 70.7 mt -100.02 153.85 37.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 176.68 6.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m120 61.24 28.36 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.8 47.95 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' C ' ' HB2' ' A' ' 66' ' ' LEU . 8.6 m-70 -133.28 167.49 20.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' LYS . 48.7 mt -144.04 144.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.14 164.82 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.2 tt -104.69 153.51 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 m -124.7 124.82 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 35' ' ' PHE . 12.8 p90 -159.28 161.25 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 31' ' ' SER . 28.6 mt -108.77 109.14 61.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.81 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.736 2.29 . . . . 0.0 112.319 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -89.73 -18.76 25.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.3 mp0 -132.36 164.14 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 105' ' ' GLN . 22.7 m -108.95 138.85 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.0 -146.13 15.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -100.9 100.01 10.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -87.34 141.99 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 98' ' ' PRO . 19.1 mt -116.15 116.1 27.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 87' ' ' ILE . 9.6 t -94.72 112.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -79.0 110.17 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HG12 ' A' ' 85' ' ' VAL . 20.4 mm -121.21 117.48 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 12.5 mttt -135.54 171.15 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -122.56 109.69 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.809 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.88 28.41 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.16 17.83 33.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 70.9 m-80 -130.49 99.08 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 10.5 m-70 -35.55 141.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 47' ' ' LEU . 18.0 m -101.34 -178.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.38 147.82 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 61.16 26.72 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 42.8 t -125.59 142.51 42.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 0.0 110.798 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.33 131.36 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -94.26 117.89 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.518 HG21 ' CE1' ' A' ' 35' ' ' PHE . 84.0 mt -121.25 145.01 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 tpt -108.6 120.35 42.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.9 t -115.59 133.98 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.15 136.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.1 pt20 -85.13 98.12 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.9 t -56.68 100.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.56 86.61 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.594 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -51.01 -29.1 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.94 -137.78 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.494 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.08 169.63 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 t -115.58 -52.28 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.34 -164.16 13.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 114' ' ' SER . 52.6 Cg_endo -69.81 -42.04 3.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.28 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 113' ' ' PRO . 25.8 t -34.69 107.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m -99.81 157.12 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -87.3 174.43 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.807 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m 60.98 43.49 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 128.18 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -71.53 148.33 46.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -131.55 102.65 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.96 121.65 5.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.7 pt -56.6 144.3 65.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.65 9.23 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.744 2.296 . . . . 0.0 112.336 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.72 31.92 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.8 t 65.07 54.79 1.19 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.611 0.72 . . . . 0.0 110.788 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 11' ' ' SER . 54.9 Cg_endo -69.74 -40.94 4.75 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -156.59 146.36 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -109.78 90.55 3.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.81 117.53 16.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 152.5 40.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -155.23 148.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.7 p -112.16 91.7 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.57 -62.38 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.46 -53.71 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t 71.14 29.48 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -86.09 -179.05 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 122.72 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -174.75 168.0 3.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -122.92 103.16 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.33 128.97 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 28' ' ' LYS . 38.2 t -140.17 156.89 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 27' ' ' VAL . 12.3 mmmm -88.03 115.86 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' C ' ' A' ' 78' ' ' ARG . 16.3 tp -68.82 131.3 44.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.85 51.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.423 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -152.67 127.85 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 112.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.17 144.11 46.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.9 151.03 26.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 75' ' ' PHE . 90.8 m-85 -132.23 112.65 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -83.98 123.13 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.58 136.01 38.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -83.82 99.88 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 41' ' ' GLU . 8.3 pt -133.19 136.07 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 m -81.71 44.28 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 47' ' ' LEU . 6.5 mt-10 -126.67 132.0 51.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 22.6 p -109.73 -69.57 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' O ' HD12 ' A' ' 47' ' ' LEU . 17.8 m-20 -35.37 123.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -88.16 -57.19 3.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 p -53.95 -48.0 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -54.46 -26.6 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 41' ' ' GLU . 23.7 mt -98.48 164.18 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.51 146.37 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -122.21 124.4 43.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -150.92 138.91 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 HG13 ' A' ' 85' ' ' VAL . 38.6 mt -137.12 134.12 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -134.24 103.05 5.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.45 169.37 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.75 -17.08 37.83 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -98.94 10.81 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.59 20.15 74.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -94.85 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.06 148.26 52.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 75' ' ' PHE . 77.6 mt-10 -130.83 143.1 47.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 90.34 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.784 2.322 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' A' ' 73' ' ' ILE . 7.1 p -99.4 146.17 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -144.81 139.25 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 49.0 mt -93.26 132.94 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -144.91 154.95 43.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.577 HH11 HD11 ' A' ' 71' ' ' ILE . 9.6 tpt180 -86.68 132.07 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.8 mt -100.03 153.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.99 22.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 69.7 25.78 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.54 50.36 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' C ' HG13 ' A' ' 71' ' ' ILE . 8.0 m-70 -134.4 166.06 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.577 HD11 HH11 ' A' ' 65' ' ' ARG . 55.1 mt -144.99 144.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.49 174.95 32.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 61' ' ' CYS . 6.9 tt -109.84 148.3 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.37 120.67 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 9.2 p90 -154.44 152.48 30.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 35.2 mt -97.76 104.72 22.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.686 0.755 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 129.47 17.63 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' C ' HD11 ' A' ' 29' ' ' LEU . 1.5 mpt_? -99.3 -26.55 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' N ' HD11 ' A' ' 29' ' ' LEU . 12.9 tt0 -129.94 167.82 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 103' ' ' VAL . 33.8 m -112.22 144.5 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.09 -141.44 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -103.03 100.61 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -89.97 142.53 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -116.29 114.8 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 51' ' ' ILE . 4.8 t -95.42 120.71 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.4 m -87.3 111.52 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 86' ' ' SER . 19.9 mm -120.36 116.78 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -135.73 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -125.18 104.2 8.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 62.06 26.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.44 17.66 30.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 67.8 m-80 -130.97 101.09 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -35.64 147.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.6 m -106.84 -176.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 145.28 45.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 64.68 28.62 13.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 27.8 t -126.98 144.51 50.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.83 157.66 92.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.319 0.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -80.65 116.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.7 p -82.0 115.12 21.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.8 mt -120.44 141.75 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 tpt -109.96 119.72 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 80' ' ' VAL . 58.2 t -109.6 137.21 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.3 143.37 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.476 ' HG2' HG11 ' A' ' 80' ' ' VAL . 12.2 mt-30 -61.91 109.98 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 t -121.12 102.38 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -101.46 136.09 41.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mm -86.31 -57.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.94 -159.64 27.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.85 122.21 4.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.5 m 46.58 44.29 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.12 -158.0 34.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.65 9.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.6 m -101.47 86.65 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.3 p 42.49 42.83 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.514 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -152.09 156.3 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -60.2 -46.9 88.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.89 -140.6 3.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p -90.13 118.21 29.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -115.3 -59.21 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.56 123.84 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 pt -78.68 145.94 68.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 108.68 2.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.33 127.52 2.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 m -59.35 143.49 85.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -172.44 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' THR . 14.5 t80 -85.85 149.0 25.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' PHE . 25.3 m -33.97 -67.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.38 140.98 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -114.36 -31.22 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -63.68 143.29 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' ASP . 54.6 m -53.24 147.35 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' THR . 28.5 t0 -35.85 -63.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 22' ' ' ARG . 21.2 m-20 -99.38 174.44 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.25 41.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -95.4 177.89 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -128.51 145.18 51.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.0 p -154.6 126.73 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -76.95 126.75 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' A' ' 106' ' ' SER . 19.9 tt0 -75.51 116.81 16.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 35' ' ' PHE . 17.1 t -118.79 154.12 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.25 123.58 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 80' ' ' VAL . 7.5 tp -66.23 131.37 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.42 24.01 66.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -144.45 121.65 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 117.34 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -126.1 152.73 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -91.26 148.81 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 96.2 m-85 -130.81 123.52 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 66' ' ' LEU . 5.1 tp -89.04 111.98 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 99' ' ' VAL . 2.0 pt? -118.33 133.51 55.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.23 100.52 7.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 41' ' ' GLU . 5.2 pt -129.74 120.67 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -63.48 -8.34 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.48 120.9 40.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.874 HG23 HD11 ' A' ' 71' ' ' ILE . 59.0 m -91.96 -59.63 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -34.89 109.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD21 ' CA ' ' A' ' 64' ' ' LYS . 5.4 mp -71.88 -58.28 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.4 m -43.12 -57.59 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -48.99 -32.38 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 41' ' ' GLU . 58.8 mt -97.89 161.23 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 49' ' ' ALA . 9.7 m -111.89 165.33 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -132.45 121.68 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -151.02 143.73 24.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 85' ' ' VAL . 96.9 mt -142.75 137.94 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 24.2 tptt -132.57 105.23 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.889 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.76 169.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 111.078 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.889 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.7 Cg_endo -69.77 -17.56 37.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.47 5.73 50.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 22.56 59.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.87 113.32 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.58 159.63 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -141.76 143.36 28.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.69 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 73' ' ' ILE . 13.3 p -98.28 145.49 26.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 49' ' ' ALA . 6.7 mt -74.65 131.58 41.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CA ' HD21 ' A' ' 44' ' ' LEU . 10.4 ptmm? -142.14 170.46 15.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -91.37 143.4 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 36' ' ' LEU . 20.8 mt -114.95 155.04 46.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.276 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.48 25.38 14.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.35 44.45 5.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.409 ' C ' HG13 ' A' ' 71' ' ' ILE . 6.6 m-70 -129.05 173.62 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.874 HD11 HG23 ' A' ' 42' ' ' THR . 58.4 mt -144.1 147.14 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.32 173.86 35.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.8 tt -107.58 158.19 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -130.62 112.64 13.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.583 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.0 p90 -147.59 158.18 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.5 mt -101.64 98.56 9.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.23 -23.36 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' C ' HD11 ' A' ' 29' ' ' LEU . 7.0 mp0 -123.11 172.99 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.734 HG13 HD13 ' A' ' 29' ' ' LEU . 7.8 m -118.97 153.3 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 138.62 -136.14 7.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -111.74 99.88 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.26 137.49 33.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 mt -106.87 114.37 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 87' ' ' ILE . 16.6 t -93.96 117.34 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.3 m -86.65 107.04 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.752 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -116.38 115.47 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -131.69 172.78 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.91 104.66 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.33 26.25 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.45 16.99 37.97 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' HIS . 69.3 m-80 -130.23 100.4 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 15.6 m-70 -34.47 141.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.677 HG11 HD22 ' A' ' 47' ' ' LEU . 34.8 m -101.72 -176.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.23 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 70.63 27.16 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.0 t -128.55 143.17 47.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.6 Cg_endo -69.73 156.92 92.48 Favored 'Cis proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.348 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 37' ' ' LEU . 41.0 t -88.62 122.57 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 m -80.8 129.98 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 102' ' ' MET . 89.5 mt -127.65 154.65 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.457 ' N ' HG22 ' A' ' 101' ' ' ILE . 9.3 tpt -119.34 125.68 49.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 80' ' ' VAL . 48.8 t -118.87 133.96 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.8 151.27 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' HG11 ' A' ' 80' ' ' VAL . 16.0 mt-30 -82.98 83.11 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 65.2 p -70.98 105.41 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -116.79 104.48 11.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 mm -126.58 138.29 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 69.66 119.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -47.32 61.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.1 p -80.35 166.0 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.54 178.67 36.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.43 9.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.631 2.22 . . . . 0.0 112.385 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.2 t -69.12 132.04 45.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.9 p -112.93 -7.75 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -99.5 170.96 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.9 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 p -111.65 -45.24 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.89 162.04 14.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -108.79 150.29 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -106.02 122.77 46.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.64 88.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -48.01 149.45 2.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 111.133 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 113.4 3.35 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 -171.68 18.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -109.76 84.13 3.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 175.95 7.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -79.94 -52.36 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -105.82 144.67 32.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.08 179.71 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.69 110.34 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.7 mt -81.69 -24.25 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 18' ' ' THR . 11.4 t -103.31 127.51 50.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -113.2 153.56 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.68 -51.04 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 58.13 42.6 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -63.73 -60.07 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 13.5 ttp-105 -111.01 -59.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.73 129.65 56.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 m -77.8 116.04 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -73.99 121.81 21.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.68 153.25 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -93.49 113.79 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.5 tp -62.62 151.12 38.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.45 17.39 53.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -137.91 119.44 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.63 140.03 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.68 156.38 27.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 80.7 m-85 -140.52 118.36 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 70' ' ' HIS . 5.9 tp -93.39 115.96 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -123.53 141.3 52.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.02 97.23 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.98 131.18 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 44.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 47' ' ' LEU . 78.1 mm-40 -133.36 118.18 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -109.56 34.86 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 5.3 m-20 -126.9 79.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.91 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -41.73 -57.19 2.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 50.3 m -44.7 -36.11 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 41' ' ' GLU . 56.8 mt -90.02 163.66 14.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.15 146.91 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -115.11 121.88 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -148.02 125.35 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 85' ' ' VAL . 62.5 mt -130.01 145.3 35.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -45.44 168.65 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.79 -14.52 36.11 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.608 2.206 . . . . 0.0 112.383 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -89.31 -0.83 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.77 20.43 50.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -102.27 115.4 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.376 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.7 144.08 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -122.14 143.84 40.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 98.83 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.731 ' HB2' HD11 ' A' ' 73' ' ' ILE . 22.6 p -112.07 145.17 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.37 121.31 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 13.5 mt -80.83 137.65 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -145.35 159.7 42.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -89.63 118.06 28.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.1 mt -88.76 154.29 50.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 178.79 4.25 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.733 2.289 . . . . 0.0 112.278 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 59.48 30.48 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 59.29 48.97 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 36' ' ' LEU . 9.9 m-70 -133.9 159.71 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.3 mt -145.08 136.51 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.75 -173.56 16.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.1 tt -117.38 147.38 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -125.06 120.29 31.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.414 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.4 p90 -150.95 172.41 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 67.0 mt -118.13 100.46 51.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.69 132.4 23.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.758 2.305 . . . . 0.0 112.347 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.49 -2.73 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 29' ' ' LEU . 56.6 mt-10 -141.49 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.702 HG11 ' HG3' ' A' ' 105' ' ' GLN . 25.2 m -118.61 144.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.2 -141.38 10.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -105.99 101.39 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 17.1 m80 -87.75 142.22 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.17 117.16 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 51' ' ' ILE . 14.6 t -98.41 113.61 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -82.56 109.9 17.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 94' ' ' VAL . 33.6 mm -117.42 112.25 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -131.0 172.33 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -127.34 106.07 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 m120 62.45 27.67 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.85 17.55 37.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -130.89 103.32 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -39.7 144.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 47' ' ' LEU . 17.9 m -108.67 -178.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.2 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 10.7 m120 59.21 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 36.6 t -131.8 143.38 48.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.5 Cg_endo -69.77 153.91 93.13 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 -1.786 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.1 t -86.15 118.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -80.48 135.94 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.0 mt -133.75 143.92 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 tpt -105.29 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.413 HG12 HG12 ' A' ' 80' ' ' VAL . 46.3 t -118.15 125.92 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.81 152.97 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.702 ' HG3' HG11 ' A' ' 80' ' ' VAL . 21.1 mt-30 -83.46 89.11 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.2 m -48.87 117.42 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.77 154.97 16.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 8' ' ' ILE . 70.7 mt -79.54 -62.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 150.23 -43.44 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 163.41 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.53 148.3 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.89 173.6 13.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.92 16.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 p -171.01 129.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -160.07 148.88 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -88.28 -47.39 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -102.03 158.4 16.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.02 89.94 2.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -133.22 129.73 38.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 m -82.28 -52.44 6.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -96.07 127.63 9.24 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.521 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -34.26 148.99 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 172.38 12.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.55 45.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 5.8 t -126.86 88.61 54.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.46 32.08 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -83.99 74.39 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 11' ' ' SER . 70.0 p -128.15 -178.64 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.36 145.36 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 -17.27 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -60.14 147.62 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -110.32 157.74 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.97 -44.55 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.42 -53.58 35.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.4 m 56.15 44.71 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.79 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.6 118.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.1 p -146.17 154.08 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.9 m -111.44 142.36 43.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.43 HE21 ' CB ' ' A' ' 106' ' ' SER . 9.3 tt0 -106.35 127.88 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.5 t -131.17 151.43 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -89.15 110.16 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' N ' ' A' ' 79' ' ' GLU . 13.4 tp -64.7 126.02 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.99 24.9 39.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m -150.44 132.31 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.05 138.69 53.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.9 151.11 31.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 101' ' ' ILE . 83.8 m-85 -135.97 127.64 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 66' ' ' LEU . 7.1 tp -93.77 108.47 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.3 pt? -107.5 131.37 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.06 98.71 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.438 HG23 ' HG ' ' A' ' 37' ' ' LEU . 5.5 pt -133.57 153.24 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.411 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 43.4 m -106.88 32.72 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.8 mp0 -119.9 127.85 53.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.9 t -91.98 -44.06 9.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 m-20 -58.81 133.77 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' C ' ' A' ' 64' ' ' LYS . 3.3 mp -102.16 -56.49 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -51.54 -49.31 62.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 m -58.1 -17.77 20.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 167.91 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -121.32 159.04 26.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.736 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -140.2 120.42 13.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.036 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -149.23 134.91 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 85' ' ' VAL . 61.6 mt -131.17 134.14 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.7 tptt -132.99 104.54 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.18 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.77 -17.76 37.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -96.77 8.17 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.14 24.62 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.24 114.57 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.91 156.55 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -137.25 143.72 42.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.72 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.717 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.4 p -93.69 144.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.19 131.89 31.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.1 mt -92.14 135.83 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.724 ' C ' HD21 ' A' ' 44' ' ' LEU . 10.2 ptpt -143.85 172.01 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -98.07 123.43 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 36' ' ' LEU . 87.1 mt -93.9 154.28 40.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 60.78 33.32 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.84 49.17 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -134.46 166.79 22.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.0 mt -141.11 143.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.39 166.83 31.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 61' ' ' CYS . 14.9 tt -103.71 159.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.181 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -136.27 116.09 13.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 5.9 p90 -147.88 158.97 44.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -103.0 95.78 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.497 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.0 Cg_endo -69.82 132.7 23.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.51 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -102.47 -16.72 16.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.567 ' N ' HD11 ' A' ' 29' ' ' LEU . 2.0 tt0 -125.63 167.04 15.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 105' ' ' GLN . 20.3 m -117.67 135.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.84 -142.42 9.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.98 111.71 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -104.87 132.65 50.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.23 115.37 30.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 87' ' ' ILE . 16.3 t -95.3 112.72 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -80.79 113.26 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.867 HD11 HG12 ' A' ' 85' ' ' VAL . 15.6 mm -126.67 118.65 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 92' ' ' ASN . 19.8 mttt -135.34 172.63 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -124.69 104.0 8.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.9 m120 64.08 27.59 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.99 16.82 39.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' HIS . 79.0 m-20 -130.78 102.23 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.9 m-70 -34.44 141.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 87' ' ' ILE . 31.7 m -104.71 174.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.9 144.73 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.7 m120 63.67 33.58 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 33.2 t -137.82 143.61 40.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.82 157.98 91.65 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.288 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 37' ' ' LEU . 40.0 t -85.68 125.43 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.0 p -90.06 109.72 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 35' ' ' PHE . 56.5 mt -112.97 142.72 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.9 tpp -109.08 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.22 136.94 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.1 170.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HG3' HG11 ' A' ' 80' ' ' VAL . 26.3 mt-30 -99.72 115.94 30.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.43 ' CB ' HE21 ' A' ' 26' ' ' GLN . 54.5 p -89.31 116.75 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.79 139.93 53.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.9 mt -96.55 -43.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -100.86 80.45 0.45 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.471 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -77.01 172.49 13.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.69 162.39 20.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.4 53.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 m -110.05 113.47 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 m -45.4 -64.24 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -130.39 115.72 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -99.03 87.32 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.12 96.41 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -87.21 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -109.02 149.8 28.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 154.17 16.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.8 pt -65.14 147.78 98.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 111.203 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 103.07 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.417 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.81 52.91 0.82 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.1 m -47.85 -60.06 4.83 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.73 . . . . 0.0 110.94 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 11' ' ' SER . 53.4 Cg_endo -69.84 176.17 7.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -139.41 138.31 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -115.95 130.18 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.13 114.98 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -133.6 116.09 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 pt -57.17 142.44 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -171.89 141.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -174.99 133.44 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.32 148.87 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -92.21 47.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -115.48 166.56 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -46.1 -41.22 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.7 p -111.67 125.0 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -80.21 159.68 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -120.71 129.26 53.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 35' ' ' PHE . 3.0 t -141.79 155.76 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -85.1 131.04 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 HG13 ' A' ' 80' ' ' VAL . 4.2 tp -82.53 133.02 35.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.83 6.89 87.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -129.86 120.58 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.45 116.1 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.51 49.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.15 144.7 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 51.5 m-85 -122.59 113.52 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 66' ' ' LEU . 7.1 tp -83.96 105.69 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.04 144.67 48.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -90.85 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.59 120.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -82.39 43.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -131.14 116.15 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.6 p -96.35 -175.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LEU . 6.2 m-20 70.45 49.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.686 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.9 mp -37.73 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -56.81 -51.41 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -57.13 -23.96 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.724 HD22 HG11 ' A' ' 94' ' ' VAL . 70.3 mt -94.85 160.74 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.54 153.61 22.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -128.36 123.63 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.041 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t -149.6 139.75 22.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 85' ' ' VAL . 60.4 mt -142.24 135.14 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -136.32 121.59 19.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -62.68 167.14 6.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -97.9 9.89 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.19 23.05 72.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -105.1 108.74 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.19 35.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 10.8 mp0 -131.4 141.06 40.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.696 0.76 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 p -108.8 145.64 34.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.36 123.44 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.8 mt -77.5 131.59 37.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.97 151.48 38.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -78.55 147.98 33.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 36' ' ' LEU . 40.1 mt -119.83 155.02 55.37 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.04 30.08 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 57.67 49.62 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -137.01 173.3 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 72' ' ' GLY . 52.0 mt -141.12 152.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -158.63 156.42 27.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.31 146.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -117.3 114.5 23.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 13.7 p90 -148.62 162.27 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.0 mt -109.51 105.33 57.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.8 115.38 4.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -79.46 -17.78 53.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' C ' HD11 ' A' ' 29' ' ' LEU . 4.5 mm-40 -141.09 -177.27 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 103' ' ' VAL . 33.3 m -123.88 145.76 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.1 -142.32 11.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -100.4 101.73 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.46 141.17 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.83 114.5 26.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG12 HD11 ' A' ' 87' ' ' ILE . 18.7 t -94.09 113.58 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.1 m -83.66 112.95 20.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.791 HD11 HG12 ' A' ' 85' ' ' VAL . 20.7 mm -121.97 117.6 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -135.91 172.45 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HE3' HD21 ' A' ' 47' ' ' LEU . 30.7 ttmt -127.07 108.35 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 60.21 26.97 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.91 17.41 35.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' HIS . 74.4 m-20 -130.35 102.88 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 11.4 m-70 -36.41 151.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.724 HG11 HD22 ' A' ' 47' ' ' LEU . 30.0 m -113.27 -179.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.98 149.79 50.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 99' ' ' VAL . 12.2 m-80 56.86 35.54 26.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.0 t -135.49 142.55 41.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.76 151.96 91.88 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.292 0.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.5 t -84.0 120.58 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.5 p -82.24 131.23 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.454 HG21 ' CE2' ' A' ' 35' ' ' PHE . 80.4 mt -129.53 143.73 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.7 tpt -108.09 117.58 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 80' ' ' VAL . 86.2 t -109.59 133.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.14 135.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.53 HE22 HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.95 134.38 51.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -113.52 167.32 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -120.97 115.74 23.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.81 -60.28 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 85.41 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.491 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -157.49 152.6 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.0 t -123.23 124.61 43.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.26 68.61 0.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.573 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.42 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 m -138.38 161.88 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.5 m -65.0 -58.21 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -98.4 109.22 22.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -80.78 -56.74 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.96 -72.01 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -63.14 106.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -156.17 131.89 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.794 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.18 93.15 2.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 pt -90.69 150.69 42.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 179.97 3.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 38.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.499 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -69.5 -60.26 4.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.75 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 11' ' ' SER . 52.9 Cg_endo -69.77 -24.54 29.49 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.244 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -70.68 -179.97 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 m -38.27 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.41 165.11 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -65.07 -47.21 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -135.72 122.1 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -67.92 135.29 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.86 150.03 20.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 -42.71 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.8 m 50.89 44.64 28.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -96.68 172.19 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -113.05 46.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -160.35 150.44 18.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -114.46 133.75 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 104' ' ' VAL . 11.1 tt0 -81.68 135.94 35.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.26 149.44 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.75 118.82 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' C ' ' A' ' 78' ' ' ARG . 28.8 tp -80.13 120.63 24.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.11 14.39 45.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -142.58 147.43 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.52 138.75 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -93.48 140.97 28.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 48.5 m-85 -124.06 108.49 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 70' ' ' HIS . 7.8 tp -85.99 114.88 23.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -126.55 139.02 53.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.07 103.34 13.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -129.62 146.98 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 t -84.84 34.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 47' ' ' LEU . 45.0 mm-40 -133.12 133.46 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 71' ' ' ILE . 53.7 m -116.04 -56.89 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.4 m-20 -38.6 98.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 ' CA ' ' A' ' 64' ' ' LYS . 2.6 mp -59.66 -61.55 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -48.14 -47.63 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 17.4 m -54.27 -32.62 56.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 41' ' ' GLU . 77.1 mt -93.31 172.63 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -132.44 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.642 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -121.78 122.16 38.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -146.67 137.23 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG12 HG22 ' A' ' 85' ' ' VAL . 56.2 mt -137.43 132.25 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' ALA . 5.3 tptm -126.87 101.14 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.61 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.75 -15.34 37.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.5 p -97.65 7.68 46.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.36 15.77 79.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.03 122.39 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.39 153.05 44.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -129.16 143.82 50.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.607 2.205 . . . . 0.0 112.311 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD11 ' A' ' 73' ' ' ILE . 5.1 p -90.08 145.71 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.1 120.61 11.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -85.3 144.15 28.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' CA ' HD21 ' A' ' 44' ' ' LEU . 9.2 ptmm? -148.44 178.09 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 115.57 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 95.7 mt -84.06 153.79 63.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 175.21 8.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.617 2.212 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.0 m120 62.02 30.1 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 61.8 41.73 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.1 m-70 -123.21 157.89 32.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 42' ' ' THR . 43.8 mt -145.1 135.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.57 -170.9 16.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 61' ' ' CYS . 18.0 tt -110.08 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -134.8 108.58 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.2 p90 -145.05 161.61 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.84 102.11 46.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.16 27.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.686 ' C ' HD11 ' A' ' 29' ' ' LEU . 2.7 mpt_? -103.27 -12.47 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.4 mt-10 -133.89 162.37 32.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 103' ' ' VAL . 15.5 m -113.1 143.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.22 -135.07 5.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -103.96 104.57 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -99.63 128.28 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.6 120.36 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 51' ' ' ILE . 23.9 t -99.96 114.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.93 111.26 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 85' ' ' VAL . 16.1 mm -119.5 119.49 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HA ' HG13 ' A' ' 94' ' ' VAL . 14.4 mttt -137.31 172.0 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -127.08 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 58.54 26.08 13.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.74 33.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.8 m-80 -130.83 101.77 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.4 m-70 -34.65 145.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG11 HD22 ' A' ' 47' ' ' LEU . 17.2 m -108.24 179.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.57 145.44 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 65.1 29.12 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.4 t -131.31 142.79 46.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.77 147.17 84.13 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.287 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.98 119.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.2 p -84.56 119.36 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 mt -125.93 141.91 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -106.8 116.89 32.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 80' ' ' VAL . 58.3 t -100.8 131.99 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 26' ' ' GLN . 11.2 m -135.69 171.86 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -100.45 125.29 46.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -83.23 156.64 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 2.4 pp20? -110.32 120.6 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -174.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 110' ' ' ASP . . . -178.44 -132.6 1.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLY . 3.6 m-20 -35.09 -48.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 t -124.23 123.21 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.12 -96.97 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.56 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.35 11.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.6 p -139.92 118.68 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.0 m -98.73 176.07 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -128.15 122.38 31.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -114.18 107.05 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.9 -59.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -159.11 144.83 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -128.63 143.07 50.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.36 55.04 2.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -47.56 145.68 4.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.082 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 151.88 68.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.608 2.205 . . . . 0.0 112.387 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.09 121.05 3.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.541 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -134.13 130.37 20.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.876 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 167.86 23.15 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -114.1 -53.87 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -94.93 127.8 41.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.78 94.24 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -114.3 -54.19 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -87.21 125.14 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -164.32 153.85 13.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.04 112.95 7.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.74 -46.73 13.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 57.14 34.31 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -118.03 163.31 16.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -84.71 -41.83 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.6 m -75.34 146.37 40.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.6 m -71.2 142.91 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -101.19 128.41 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 28' ' ' LYS . 23.7 t -137.15 155.96 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -93.04 114.85 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' C ' ' A' ' 78' ' ' ARG . 13.7 tp -79.18 113.71 17.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.92 13.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' ILE . 3.9 t -152.02 145.19 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.6 107.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.21 128.9 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -86.44 135.4 33.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.675 ' CE2' HG21 ' A' ' 101' ' ' ILE . 94.9 m-85 -119.44 122.95 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.27 117.76 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -128.49 158.28 38.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.18 97.91 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -120.73 148.27 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -89.91 31.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 38.9 mm-40 -126.04 120.29 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.1 t -92.78 -46.76 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 42' ' ' THR . 1.1 m-20 -48.75 126.22 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.7 mt -90.3 -59.68 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -58.59 -45.44 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 42.8 m -54.39 -18.96 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' ' 41' ' ' GLU . 87.0 mt -101.59 164.65 11.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -114.44 150.32 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -128.31 116.6 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t -147.99 144.58 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.41 HD12 ' CG ' ' A' ' 75' ' ' PHE . 52.3 mt -143.89 134.85 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 13.8 tptt -133.83 103.58 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.861 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.06 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.861 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.9 Cg_endo -69.74 -17.99 37.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -96.07 8.09 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 21.44 61.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.562 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -98.69 120.97 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.45 146.0 41.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -125.87 144.05 47.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.13 144.84 29.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.83 120.15 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 44' ' ' LEU . 12.7 mt -78.61 134.29 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' ILE . 11.4 ptmm? -140.95 177.43 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.65 121.51 44.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 96.0 mt -90.64 153.64 45.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 173.96 10.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 t-20 65.28 27.54 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 62.78 44.87 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 8.2 m-70 -129.56 160.23 33.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LYS . 96.6 mt -145.02 140.6 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.59 -177.24 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.55 150.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -127.47 110.65 12.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 51' ' ' ILE . 8.2 p90 -146.96 160.38 42.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 31' ' ' SER . 7.6 mt -104.5 100.66 23.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.64 ' C ' HD11 ' A' ' 29' ' ' LEU . 9.9 tpt180 -92.16 -34.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.818 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 7.6 tp10 -111.42 153.78 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 103' ' ' VAL . 26.8 m -103.73 141.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.29 -136.76 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -104.55 104.79 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -96.94 136.76 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -107.44 116.25 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.915 HG12 HD11 ' A' ' 87' ' ' ILE . 13.4 t -94.74 114.27 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -82.68 108.65 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.915 HD11 HG12 ' A' ' 85' ' ' VAL . 11.0 mm -120.46 113.95 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 23.1 mttt -132.71 173.63 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -131.35 111.99 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.1 m120 61.12 28.94 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.75 17.48 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' HIS . 73.8 m-20 -130.87 102.64 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' ASN . 10.7 m-70 -34.11 143.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.3 m -100.27 178.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.03 139.45 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 69.09 28.54 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.561 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 11.1 t -128.45 146.51 60.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.78 159.21 90.11 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.334 0.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.17 122.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -84.44 118.9 24.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.2 mt -122.05 145.03 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.0 tpt -108.0 118.04 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -104.72 137.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.81 153.38 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.495 ' CG ' HG11 ' A' ' 80' ' ' VAL . 9.2 mt-30 -77.97 120.7 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 p -66.42 149.19 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -126.67 137.96 53.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -100.49 124.66 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.4 63.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.413 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -100.73 108.78 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.1 p -67.79 132.82 48.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.41 70.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.414 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.81 15.79 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' SER . 30.8 p -58.66 128.4 36.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.7 m 35.51 47.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 53.96 41.28 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -96.3 140.25 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.12 43.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 m -47.26 143.35 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -101.05 -54.43 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.45 164.14 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 pt -44.79 145.27 1.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 85.28 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.08 128.68 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 p -106.27 88.24 3.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.743 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -4.73 14.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.68 116.72 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.2 p -138.96 168.85 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.36 122.98 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.67 121.25 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 pt -86.11 42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -162.47 140.04 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.6 120.44 8.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -79.58 151.78 30.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.4 m -88.68 41.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -93.0 167.3 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -99.16 -48.24 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.5 m -38.67 111.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.9 m -82.65 128.08 34.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' A' ' 106' ' ' SER . 25.4 tt0 -87.08 138.07 31.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 33' ' ' ALA . 5.6 t -137.47 167.21 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 27' ' ' VAL . 1.8 mppt? -104.8 118.81 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.8 tp -69.66 112.38 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.03 6.98 29.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -139.29 133.14 30.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 117.33 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -114.78 155.28 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.44 152.81 18.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 64.6 m-85 -133.42 114.97 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 66' ' ' LEU . 6.8 tp -86.47 118.3 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 99' ' ' VAL . 1.8 pt? -133.23 135.36 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -81.95 102.71 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.13 140.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.4 m -80.01 47.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.9 mt-10 -134.71 114.54 12.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -93.84 -27.3 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -76.81 140.94 40.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -102.7 -58.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -52.23 -43.45 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 m -59.22 -25.63 64.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 HG11 ' A' ' 94' ' ' VAL . 59.6 mt -92.75 170.0 10.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -119.13 151.36 38.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.2 116.89 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -150.18 131.72 14.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.537 ' CG1' HG13 ' A' ' 85' ' ' VAL . 45.8 mt -140.82 152.28 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -159.05 121.14 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.832 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -47.8 168.32 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 111.04 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.832 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -15.52 37.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -88.66 -1.13 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.35 20.56 41.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -103.7 111.19 23.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 161.09 1.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -141.44 143.96 32.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.767 ' HB2' HD11 ' A' ' 73' ' ' ILE . 23.0 p -108.56 137.93 45.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -136.18 119.89 17.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.69 130.72 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.72 166.22 24.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH2' ' HA ' ' A' ' 69' ' ' ASN . 12.2 tpt180 -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 36' ' ' LEU . 92.1 mt -104.85 154.46 38.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.9 11.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 6.8 m-20 61.38 41.26 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 11.5 t-20 49.6 49.91 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 33.6 m-70 -133.14 163.08 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 70' ' ' HIS . 46.6 mt -144.32 142.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.55 169.48 31.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.0 tt -105.23 154.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 t -131.03 122.67 27.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.3 p90 -152.62 159.52 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -102.61 100.92 17.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.8 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' C ' HD11 ' A' ' 29' ' ' LEU . 5.9 tpt180 -87.62 -30.14 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' N ' HD11 ' A' ' 29' ' ' LEU . 7.3 tt0 -120.1 171.34 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.617 HG11 ' HG3' ' A' ' 105' ' ' GLN . 16.9 m -115.4 142.48 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.99 -142.83 10.94 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -102.75 103.98 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.46 116.39 28.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.971 HG12 HD11 ' A' ' 87' ' ' ILE . 10.6 t -96.94 112.66 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.5 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.0 m -83.9 106.89 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.971 HD11 HG12 ' A' ' 85' ' ' VAL . 13.5 mm -118.53 114.23 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -130.93 172.97 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -126.88 105.29 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 60.38 28.13 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.95 17.63 34.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -130.65 102.67 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.62 143.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 87' ' ' ILE . 35.7 m -103.09 -178.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 146.74 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 99' ' ' VAL . 38.9 m-80 62.71 27.75 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 30.1 t -128.98 144.18 51.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 145.29 79.19 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.603 -1.832 . . . . 0.0 112.355 0.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG21 HD13 ' A' ' 37' ' ' LEU . 40.5 t -77.44 124.96 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.8 p -87.49 131.78 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 35' ' ' PHE . 84.5 mt -128.48 146.39 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.9 tpt -111.31 118.91 37.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 80' ' ' VAL . 58.0 t -111.53 131.21 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.49 143.71 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.617 ' HG3' HG11 ' A' ' 80' ' ' VAL . 54.0 mt-30 -67.08 87.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 75.1 p -93.96 85.63 4.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -97.55 117.96 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.9 mt -91.77 -53.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.48 51.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.85 112.99 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.816 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.9 t -122.17 108.21 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -154.91 166.89 32.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 159.56 52.99 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 p -105.44 13.43 30.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 t -167.91 107.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -107.1 134.51 50.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -60.49 -47.56 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.67 73.94 0.84 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -109.0 82.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -151.48 158.21 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -177.15 46.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -44.51 142.81 2.28 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.554 0.692 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 116.87 4.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.61 -75.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -162.24 148.34 10.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.87 32.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -130.3 139.87 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.5 p -90.73 -47.34 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.72 120.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -99.54 134.41 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 17' ' ' ILE . 3.1 mp -107.45 -38.05 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -145.31 122.52 11.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.91 115.46 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -41.36 161.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -112.23 41.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -99.77 172.92 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -101.0 -49.92 3.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -40.58 114.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 m -95.11 101.84 13.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.3 134.78 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 28' ' ' LYS . 11.8 t -129.78 162.65 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' N ' HG12 ' A' ' 27' ' ' VAL . 26.0 mmtp -96.32 105.93 18.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' C ' ' A' ' 78' ' ' ARG . 15.5 tp -59.09 139.39 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.67 21.58 78.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -147.88 127.81 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.13 130.66 39.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.34 39.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.52 151.02 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD2' HD13 ' A' ' 101' ' ' ILE . 35.5 m-85 -135.49 112.04 9.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 70' ' ' HIS . 4.1 tp -88.78 124.51 34.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.5 pt? -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -80.68 99.4 8.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -125.6 137.83 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -84.22 37.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB3' HD21 ' A' ' 47' ' ' LEU . 62.6 mm-40 -133.06 124.13 27.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' ASP . 17.7 p -90.15 -64.9 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-20 -35.41 125.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.7 mt -83.75 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 t -53.38 -43.47 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 7.4 m -55.88 -23.67 32.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 41' ' ' GLU . 30.6 mt -99.84 166.85 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 49' ' ' ALA . 7.0 m -126.07 160.56 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -135.72 124.72 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -150.18 135.12 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.808 HG12 HG22 ' A' ' 85' ' ' VAL . 65.9 mt -142.96 140.97 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -140.13 114.21 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.48 169.47 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -16.4 37.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -91.74 2.94 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.65 8.87 72.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -89.27 110.31 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 141.87 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.773 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 39.2 mp0 -114.69 142.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.74 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 93.43 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.871 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.8 p -104.05 149.19 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -144.99 127.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -78.01 135.09 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 71' ' ' ILE . 13.6 ptmt -141.85 175.24 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.76 120.29 41.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 36' ' ' LEU . 95.3 mt -90.58 154.02 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -175.84 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 112.372 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 54.81 27.84 9.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 62.29 51.79 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.526 ' HB3' HD11 ' A' ' 36' ' ' LEU . 43.6 m-70 -136.44 160.38 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' LYS . 87.6 mt -145.05 136.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.08 -167.01 11.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.3 tt -117.39 146.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 111.083 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -121.0 115.4 23.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -150.09 165.91 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 14.0 mt -113.64 106.7 53.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 131.93 22.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.304 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.638 ' C ' HD11 ' A' ' 29' ' ' LEU . 55.6 mmm-85 -96.87 -28.12 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' N ' HD11 ' A' ' 29' ' ' LEU . 25.3 mm-40 -126.9 -179.82 5.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 103' ' ' VAL . 5.5 m -123.7 147.66 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.52 -135.01 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.55 104.43 14.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -97.25 140.11 32.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.57 128.65 56.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.808 HG22 HG12 ' A' ' 51' ' ' ILE . 17.5 t -107.31 112.48 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -83.08 103.84 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.649 HD11 HG12 ' A' ' 85' ' ' VAL . 30.2 mm -109.33 126.35 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -141.88 171.07 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -125.7 105.66 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 62.34 26.26 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.18 16.74 34.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' HIS . 63.0 m-80 -130.87 102.56 6.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ASN . 7.7 m-70 -36.49 151.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 m -115.77 174.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 144.65 56.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.8 m120 70.56 27.27 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 22.0 t -133.6 144.99 54.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.8 Cg_endo -69.75 156.11 92.91 Favored 'Cis proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.393 -0.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 37' ' ' LEU . 14.8 t -84.86 136.92 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 p -99.28 121.48 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.598 HD13 ' CD2' ' A' ' 35' ' ' PHE . 74.0 mt -125.71 143.11 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.1 tpt -103.97 121.19 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 80' ' ' VAL . 53.2 t -113.7 134.34 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.0 m -151.11 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -82.27 140.64 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 p -90.68 94.6 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.14 46.96 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.7 mt -130.84 123.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -142.11 -173.43 14.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -129.06 126.85 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.762 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -88.98 108.46 19.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.05 146.32 16.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.56 35.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.0 p -172.38 107.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 t -119.27 141.87 48.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -84.1 133.76 34.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -105.17 85.04 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -104.03 -57.04 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -169.65 169.85 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.36 -173.74 44.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.5 147.65 82.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.31 37.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.19 -75.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -149.03 120.01 4.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' PHE . 52.9 Cg_endo -69.79 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.917 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 6.2 t80 -37.68 141.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -120.08 3.9 10.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.917 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -104.67 -4.47 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.9 mtpp -37.35 -38.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 pt -99.08 -22.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 29.2 m -77.89 119.36 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' SER . 8.8 m-20 -86.47 114.96 23.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -35.58 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ASP . 49.0 m -53.17 -22.61 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' H ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.72 -179.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -116.57 39.55 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.7 m -116.96 90.86 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -96.35 153.87 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.89 132.32 52.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 28' ' ' LYS . 27.4 t -138.55 156.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 27' ' ' VAL . 13.6 mmmm -91.49 120.6 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.817 HD13 HG13 ' A' ' 80' ' ' VAL . 8.4 tp -64.02 146.84 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.28 22.75 59.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.0 m -137.59 134.44 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 112.1 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.17 162.9 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 66' ' ' LEU . 12.8 t70 -97.99 157.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HG21 ' A' ' 101' ' ' ILE . 96.6 m-85 -139.62 124.03 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -97.16 111.94 23.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -121.55 128.15 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.66 97.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -126.99 132.52 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 m -84.42 44.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 mm-40 -137.45 126.45 24.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 33.0 p -97.56 -65.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 3.5 p30 -34.57 114.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.02 -58.86 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 p -47.32 -54.04 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -48.35 -34.54 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 41' ' ' GLU . 64.5 mt -90.57 168.53 11.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -129.75 153.69 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -125.22 123.63 39.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -148.61 138.64 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 60.2 mt -138.68 136.31 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.28 102.9 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.82 169.29 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_endo -69.76 -17.06 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.373 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.92 7.17 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.93 23.06 64.74 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.42 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -102.74 114.66 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.77 148.82 32.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.701 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 mm-40 -127.14 143.57 47.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.71 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.8 p -101.71 144.23 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -142.03 128.93 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.744 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 17.0 mt -85.04 137.75 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' ILE . 19.2 ptpt -146.4 164.56 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -89.67 127.06 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD21 ' OD2' ' A' ' 34' ' ' ASP . 59.8 mt -96.99 155.05 37.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.621 0.724 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 164.06 36.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 40.3 t30 73.69 28.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 m120 61.31 41.51 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 15.6 m-70 -127.76 165.55 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 64' ' ' LYS . 19.8 mt -141.34 141.29 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.68 174.5 26.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 35' ' ' PHE . 10.3 tt -107.14 155.7 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -132.87 119.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 51' ' ' ILE . 20.7 p90 -155.51 154.37 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 70.4 mt -97.61 102.81 14.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 Cg_endo -69.75 96.45 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -33.9 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.706 ' CA ' HD11 ' A' ' 29' ' ' LEU . 15.0 tt0 -122.08 174.19 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 HD13 ' A' ' 29' ' ' LEU . 27.9 m -117.13 162.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.95 -133.34 7.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.67 101.43 10.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -93.57 125.85 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -100.86 114.69 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.746 HG12 HD11 ' A' ' 87' ' ' ILE . 10.2 t -93.07 115.46 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 m -87.12 107.17 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.746 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -115.19 114.77 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -131.85 171.91 12.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -125.21 106.51 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 60.74 27.08 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.57 17.09 34.6 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' HIS . 27.7 m-80 -130.77 101.97 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.7 m-70 -37.44 146.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 87' ' ' ILE . 34.0 m -108.46 -177.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.09 146.02 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 99' ' ' VAL . 40.6 m-80 65.21 29.18 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.4 t -133.91 144.89 53.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 154.21 93.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.357 0.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.9 t -88.41 120.62 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -86.53 130.65 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 35' ' ' PHE . 51.5 mt -130.45 141.07 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -103.6 126.24 50.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 80' ' ' VAL . 95.9 t -119.76 143.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -154.43 149.3 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' OE1' HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -84.08 84.51 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -65.65 -70.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -41.46 146.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -102.69 -49.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.39 -94.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.85 153.83 51.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 0.0 110.822 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.9 t -95.23 44.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.42 146.39 4.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.76 8.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 t -161.7 122.76 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.4 m -97.11 139.71 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 93.5 p -110.65 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.8 m -37.94 154.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.12 -105.21 1.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -50.7 111.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -157.41 150.44 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.98 -87.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.1 pt -40.51 150.75 0.27 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.9 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.345 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.25 171.6 12.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 p -70.63 137.27 85.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -148.0 141.45 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.4 m -139.41 122.27 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.36 111.6 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -30.73 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.92 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 m -139.03 118.37 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.54 168.24 20.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -113.12 119.33 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 22' ' ' ARG . 37.7 p -42.86 -47.52 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 21' ' ' SER . 27.1 ptt85 -34.57 -40.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -70.05 -66.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -139.57 172.45 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 m -115.6 153.06 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -126.85 130.84 51.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 2.6 t -140.84 159.81 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -92.69 114.71 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.968 HD11 ' C ' ' A' ' 78' ' ' ARG . 14.7 tp -72.24 114.01 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.7 4.97 39.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 118.21 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' CG1' ' A' ' 27' ' ' VAL . . . -123.38 135.23 54.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.04 148.33 25.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 38.1 m-85 -129.04 125.14 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.83 112.32 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -120.61 133.66 55.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.42 102.19 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -128.77 166.81 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m -111.39 30.05 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' CB ' HD11 ' A' ' 47' ' ' LEU . 6.3 mm-40 -122.0 122.98 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.8 t -90.04 -47.36 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 42' ' ' THR . 3.4 t70 -49.01 170.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.644 HD21 ' C ' ' A' ' 64' ' ' LYS . 2.6 mp -134.7 -43.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.9 p -72.29 -36.3 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -71.71 -8.58 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 41' ' ' GLU . 90.2 mt -103.76 170.45 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -121.45 149.25 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.562 ' HB2' ' CG ' ' A' ' 63' ' ' LEU . . . -138.32 117.0 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 m -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 61' ' ' CYS . 90.1 mt -131.85 138.84 51.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.1 tppt? -140.14 125.33 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -66.21 167.16 13.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.77 -11.47 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.742 2.295 . . . . 0.0 112.288 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 m -98.68 9.76 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.69 25.2 65.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 mmm180 -107.42 112.56 25.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.36 153.62 43.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.44 144.33 52.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 96.88 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.391 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.872 ' HB2' HD11 ' A' ' 73' ' ' ILE . 20.7 p -98.41 141.32 31.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -136.18 119.96 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.562 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 78.6 mt -78.73 143.46 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' C ' HD21 ' A' ' 44' ' ' LEU . 13.4 ptmt -147.77 176.16 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -110.25 117.91 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.89 154.27 49.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 50.68 29.9 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 59.39 45.91 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -127.75 164.32 22.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 37' ' ' LEU . 77.8 mt -141.22 146.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.8 167.87 34.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.3 tt -101.04 154.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 t -129.44 114.21 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -149.92 161.81 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.4 mt -106.65 100.92 33.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.85 139.46 39.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.968 ' C ' HD11 ' A' ' 29' ' ' LEU . 15.5 mmm180 -111.44 -29.93 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.563 ' N ' HD11 ' A' ' 29' ' ' LEU . 17.8 tp10 -111.52 152.83 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.824 HG11 ' HG3' ' A' ' 105' ' ' GLN . 32.7 m -105.64 134.16 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 -139.94 7.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.36 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -96.17 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -121.09 116.52 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 87' ' ' ILE . 12.4 t -95.35 112.57 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.429 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.1 m -87.68 104.97 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.925 HD11 HG12 ' A' ' 85' ' ' VAL . 13.0 mm -113.98 125.27 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 94' ' ' VAL . 17.9 mttt -137.86 177.38 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -131.44 104.0 6.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 61.31 30.31 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.25 42.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -130.78 104.93 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -39.34 144.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 88' ' ' LYS . 17.4 m -103.15 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.53 140.98 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.609 ' O ' HG22 ' A' ' 99' ' ' VAL . 21.4 m-80 68.67 29.57 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.5 t -131.58 143.15 47.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.74 151.8 91.7 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.343 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 96' ' ' ASN . 25.7 t -87.41 131.57 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.8 p -88.64 126.56 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 81.6 mt -127.51 143.64 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -108.62 124.63 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.66 125.21 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.21 156.14 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.824 ' HG3' HG11 ' A' ' 80' ' ' VAL . 74.7 mt-30 -82.82 108.01 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.2 p -55.78 100.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -74.6 112.15 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -93.15 -62.27 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.76 -97.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -163.42 118.81 1.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.5 m -88.42 177.79 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.54 173.87 46.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 100.27 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 p -114.75 117.38 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -118.34 165.78 13.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -128.78 139.9 51.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -127.66 141.16 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.75 89.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -109.09 164.46 12.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -88.63 -48.91 7.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.22 60.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -60.25 151.36 68.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 130.76 19.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.609 2.206 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.67 101.32 1.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -103.8 145.38 30.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 117.78 5.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -168.02 136.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.3 m -100.49 88.04 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . . . -48.58 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -99.54 119.03 37.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.22 115.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -139.4 139.99 37.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -96.73 158.41 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -152.46 154.21 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -40.25 -44.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -40.62 157.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -47.04 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.1 p -42.26 134.07 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 m -77.12 149.97 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -116.8 112.22 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.6 t -123.61 161.88 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -94.7 136.89 34.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 78' ' ' ARG . 8.8 tp -87.08 121.72 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.48 -2.78 57.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -123.08 153.63 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 118.6 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -125.29 138.91 54.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.31 151.24 28.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' A' ' 27' ' ' VAL . 68.3 m-85 -131.29 118.24 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 70' ' ' HIS . 2.7 tp -85.53 122.04 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? -133.28 139.81 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.38 97.79 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pt -122.03 128.6 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 m -84.53 37.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -129.47 129.25 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 42' ' ' THR . 12.6 t -118.03 39.64 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 3.3 m-20 -130.75 69.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.9 mt -36.56 -59.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -50.83 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 18.9 m -48.01 -19.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.33 162.29 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 ' N ' ' A' ' 49' ' ' ALA . 6.4 m -121.72 166.24 14.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.527 ' N ' HG22 ' A' ' 48' ' ' THR . . . -138.02 116.22 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -145.35 133.57 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 61' ' ' CYS . 62.7 mt -136.23 145.23 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HE2' ' CA ' ' A' ' 56' ' ' GLY . 14.4 tptm -143.86 107.93 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.903 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.03 169.88 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.903 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.81 -18.51 36.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.627 2.218 . . . . 0.0 112.364 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.4 m -96.65 5.86 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' CA ' ' HE2' ' A' ' 52' ' ' LYS . . . 85.33 24.06 45.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -98.16 117.56 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.4 142.98 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 79.4 mt-10 -126.81 143.84 48.02 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 86.7 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.9 p -90.82 145.37 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.44 119.96 11.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 44' ' ' LEU . 15.1 mt -77.54 140.36 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.5 161.39 40.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -90.94 132.74 35.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -105.71 155.03 38.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.86 17.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 3.2 t-20 69.3 31.09 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 59.44 32.7 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 5.7 m-70 -116.46 164.72 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 70' ' ' HIS . 55.3 mt -144.28 140.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.38 165.99 30.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.49 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 61' ' ' CYS . 9.8 tt -99.35 157.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -130.56 118.21 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 10.7 p90 -153.35 156.09 37.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 48.5 mt -99.94 100.26 10.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 29' ' ' LEU . 1.7 mpt_? -89.91 -35.63 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.5 tp10 -112.07 153.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 103' ' ' VAL . 27.1 m -104.17 143.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.2 -134.93 5.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -107.65 106.6 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.598 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 9.8 m80 -98.84 143.36 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 mt -112.48 115.01 27.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 87' ' ' ILE . 12.1 t -94.09 118.54 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -88.78 107.09 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.524 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -115.02 118.54 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -136.53 173.17 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -127.72 106.66 9.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 60.77 27.34 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.14 18.43 33.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' HIS . 32.2 m-20 -131.02 99.62 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.759 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 5.7 m-70 -35.92 144.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 87' ' ' ILE . 20.0 m -108.3 176.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.96 149.45 47.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 37.2 m-80 61.51 29.66 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.2 t -132.7 141.31 40.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.76 158.16 91.29 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 26.3 t -89.58 131.09 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.7 p -89.54 117.54 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.504 ' CG2' ' CE1' ' A' ' 35' ' ' PHE . 68.3 mt -116.89 145.53 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 tpt -113.73 119.97 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 80' ' ' VAL . 58.5 t -112.0 143.78 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -155.71 144.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.631 HE22 HG21 ' A' ' 80' ' ' VAL . 1.1 pm0 -76.52 136.26 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -57.52 132.41 53.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -111.26 95.8 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.09 -57.45 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.59 -169.89 53.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.48 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.7 p -105.23 117.75 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.65 75.17 1.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.543 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 -13.73 35.48 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.4 t -111.82 136.41 51.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.6 p -113.76 122.31 46.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -68.51 115.4 7.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -84.68 135.09 34.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.0 -92.95 0.7 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -155.93 172.04 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -122.52 104.41 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.08 115.53 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 pt -79.38 144.22 61.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.588 0.709 . . . . 0.0 111.148 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.75 137.49 35.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.607 2.204 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.26 -177.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.0 p -68.68 149.59 97.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.607 0.717 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -26.29 28.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -74.85 141.1 44.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 t -160.0 154.42 23.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.6 134.49 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -131.54 153.2 50.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 pt -55.65 -22.67 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 p -94.59 99.16 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.54 165.54 14.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.63 -49.24 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.2 t 70.7 32.67 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.2 mpp_? -33.88 149.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -82.15 -58.63 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.4 p -90.01 145.18 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 t -74.86 129.8 38.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -97.28 129.57 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.73 156.11 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -90.34 117.36 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' ARG . 11.5 tp -71.88 136.61 47.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.93 18.69 78.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.409 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -147.93 135.08 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.29 128.64 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.0 127.76 34.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.75 156.58 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 97.0 m-85 -138.8 117.51 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.25 115.49 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 71' ' ' ILE . 1.2 pt? -126.66 142.57 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.55 100.96 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.6 pt -126.65 142.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.47 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 4.0 m -85.35 27.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 6.8 mp0 -125.86 120.45 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 5.6 t -100.66 -28.01 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.33 105.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.11 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -46.47 -51.37 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -48.67 -38.51 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.631 ' CD2' HG11 ' A' ' 94' ' ' VAL . 63.0 mt -88.52 157.6 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.61 148.56 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.51 122.95 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -152.24 139.43 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 ' HB3' ' A' ' 61' ' ' CYS . 78.2 mt -139.82 142.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -141.49 105.34 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.73 169.33 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.72 -18.88 36.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 m -97.79 9.45 42.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.65 17.62 67.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 5.0 mmm180 -90.08 114.09 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.5 137.48 46.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 86.7 mt-10 -121.94 143.61 39.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 92.72 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.609 ' HB3' HD12 ' A' ' 51' ' ' ILE . 17.6 p -100.74 144.05 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -142.9 123.62 14.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 mt -83.49 135.78 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -141.75 160.65 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -84.53 133.81 34.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -105.94 154.59 39.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.76 29.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.25 28.66 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.49 47.23 8.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.402 ' C ' HG13 ' A' ' 71' ' ' ILE . 9.0 m-70 -133.51 165.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.5 mt -143.32 143.8 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.17 167.11 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.446 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.501 HD13 HG11 ' A' ' 85' ' ' VAL . 7.3 tt -97.77 149.08 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -125.7 114.43 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 9.5 p90 -150.95 167.93 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.7 mt -112.28 101.75 52.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.544 0.688 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.1 Cg_endo -69.66 133.55 26.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.615 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.3 -33.6 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 3.6 tp10 -114.23 151.83 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG11 ' CG ' ' A' ' 105' ' ' GLN . 33.1 m -101.01 141.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.59 -140.83 8.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -102.03 105.89 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 8.2 m80 -98.45 140.33 32.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 98' ' ' PRO . 22.4 mt -116.0 114.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 HG12 ' A' ' 51' ' ' ILE . 16.9 t -92.64 117.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.0 m -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 94' ' ' VAL . 26.9 mm -117.26 110.53 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.96 170.8 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -123.56 106.41 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 61.27 26.93 16.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.28 39.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.0 m-80 -129.79 100.12 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.9 m-70 -34.5 137.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG11 ' CD2' ' A' ' 47' ' ' LEU . 20.2 m -100.4 178.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.98 146.76 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 62.32 28.71 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.9 t -129.86 141.84 43.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.73 154.48 93.22 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.358 -0.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 t -78.09 127.38 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 p -91.54 116.26 28.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.75 150.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.7 tpt -113.2 116.77 30.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -102.77 131.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 151.19 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' HG11 ' A' ' 80' ' ' VAL . 40.6 mt-30 -72.11 111.0 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -64.37 147.63 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -124.81 117.49 24.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.1 mm -110.31 -57.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.51 -107.65 3.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 58.7 37.33 25.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 p -81.27 -7.82 59.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.29 -157.88 53.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -21.61 33.2 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.749 2.299 . . . . 0.0 112.31 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.6 p -71.78 132.27 44.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.0 t -108.27 136.04 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.407 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -133.04 148.8 52.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.382 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -161.66 154.55 20.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.44 179.22 44.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -105.87 170.11 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -123.92 177.4 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.38 91.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.504 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -41.57 147.26 0.5 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.613 0.72 . . . . 0.0 111.046 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -166.61 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -150.85 62.72 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' GLY . 20.8 m -35.27 141.44 0.29 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -49.74 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 71.56 25.78 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.7 p -88.48 -14.81 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.76 133.79 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.848 ' HD3' HG23 ' A' ' 18' ' ' THR . 1.3 tmmt? -156.93 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 16' ' ' LYS . 83.9 mt -148.31 117.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.848 HG23 ' HD3' ' A' ' 16' ' ' LYS . 40.6 p -128.77 147.75 50.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 158.52 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.1 123.37 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -81.16 43.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 4.4 ptp180 -83.67 39.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.11 118.96 4.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -48.97 168.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -115.7 114.62 25.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -80.42 119.75 23.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 28' ' ' LYS . 18.1 t -118.06 157.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 27' ' ' VAL . 37.9 mmtm -92.92 98.68 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD22 HG13 ' A' ' 80' ' ' VAL . 13.3 tp -55.25 139.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.58 26.97 73.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -153.84 119.73 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.55 129.7 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.8 136.75 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.8 147.44 24.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 93.4 m-85 -127.24 148.06 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -113.79 103.15 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -105.6 140.02 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.72 103.48 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.4 pt -134.15 147.24 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 m -92.7 34.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -127.53 120.26 27.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 p -86.8 -49.35 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -39.84 153.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.8 mt -116.96 -52.77 2.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -65.91 -41.58 91.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -59.17 -22.37 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.65 161.08 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 m -117.72 151.71 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -126.36 125.63 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -151.55 138.59 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 HG13 ' A' ' 85' ' ' VAL . 54.8 mt -141.13 138.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -138.07 121.35 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.819 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -61.3 165.86 6.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.4 Cg_endo -69.75 -11.28 30.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -99.37 9.34 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.88 25.3 64.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -106.72 109.15 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.68 157.33 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -138.63 142.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.89 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.867 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.8 p -113.65 147.53 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -133.08 143.67 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 16.2 mt -97.32 125.52 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' ILE . 9.2 ptmt -131.09 176.14 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -109.16 116.95 32.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 82.0 mt -86.92 152.51 53.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.63 27.35 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 63.37 48.18 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m-70 -132.47 159.02 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 64' ' ' LYS . 54.4 mt -145.01 138.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.23 -167.73 12.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 61' ' ' CYS . 8.6 tt -110.69 164.17 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 p -136.4 109.88 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 16.9 p90 -150.63 173.15 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 15.3 mt -120.53 102.29 45.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.89 121.43 8.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -90.29 -24.43 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' HD11 ' A' ' 29' ' ' LEU . 21.6 mt-10 -118.99 165.68 13.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 103' ' ' VAL . 31.2 m -114.67 138.37 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.92 -136.41 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -105.63 99.31 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -89.68 125.07 35.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.86 118.53 31.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.6 HG12 HD11 ' A' ' 87' ' ' ILE . 11.8 t -98.6 114.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -84.84 106.96 16.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.6 HD11 HG12 ' A' ' 85' ' ' VAL . 8.3 mm -116.1 118.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 19.1 mttt -134.3 171.04 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -125.47 104.42 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 62.24 28.63 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.37 17.29 40.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -130.21 103.35 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 88' ' ' LYS . 17.3 m-70 -38.85 146.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' ILE . 28.4 m -111.07 176.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.51 56.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.8 m-80 67.88 29.18 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 48.4 t -133.65 142.64 44.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.8 146.43 82.24 Favored 'Cis proline' 0 C--N 1.341 0.134 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.274 0.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 96' ' ' ASN . 12.9 t -82.63 117.73 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -85.46 129.88 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.78 148.17 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 tpt -104.17 124.31 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 80' ' ' VAL . 58.4 t -116.84 130.76 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.78 146.4 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -82.5 118.99 23.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.7 t -75.13 150.75 38.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -98.66 30.91 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.416 ' H ' HG23 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -40.46 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -114.99 126.86 7.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.93 -48.52 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.759 0.314 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.0 p -99.75 165.82 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.3 155.29 16.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.439 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.8 19.98 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.417 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.3 p -42.71 -48.85 5.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.4 m -79.91 84.59 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -105.42 -46.3 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -65.21 -50.6 65.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 173.22 3.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -158.9 131.49 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -118.78 -45.09 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 121.23 6.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.7 pp -81.03 150.37 68.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.646 0.736 . . . . 0.0 111.088 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.78 135.41 8.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.1 p -122.42 141.76 35.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.32 18.31 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -59.51 135.62 57.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.9 p -62.15 -50.33 72.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.6 139.19 48.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -88.91 -56.0 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 17' ' ' ILE . 11.5 mm -85.38 144.56 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.109 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.6 p -45.23 153.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -120.48 44.69 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.34 158.5 20.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -92.59 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 13.4 mtp-105 -85.97 131.45 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -122.85 94.76 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -144.46 137.05 26.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 m -90.32 149.96 22.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -116.59 122.62 45.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -129.39 154.96 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.35 127.65 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD11 ' N ' ' A' ' 79' ' ' GLU . 10.0 tp -73.2 147.67 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.07 18.63 57.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.449 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 m -141.81 119.1 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.22 124.66 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.39 153.76 47.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 101' ' ' ILE . 26.5 m-85 -133.28 123.71 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 66' ' ' LEU . 5.1 tp -91.54 108.84 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -120.14 136.37 54.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.38 96.96 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -125.17 130.06 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.0 m -80.95 44.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.8 mp0 -137.74 115.03 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -88.11 -63.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.6 m-20 -38.72 103.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.47 -57.87 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.0 m -50.41 -41.92 52.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.7 m -57.78 -29.1 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 94' ' ' VAL . 97.1 mt -93.5 173.61 7.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -124.26 154.62 39.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.05 119.91 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -151.87 137.95 18.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 85' ' ' VAL . 70.7 mt -140.98 142.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.5 tppt? -140.44 131.96 27.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.858 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -73.39 168.87 21.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.708 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.858 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.85 -13.72 34.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -98.22 11.08 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 75.48 25.16 68.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -105.56 108.86 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 146.27 54.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -126.97 143.81 48.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.74 0.781 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 111.43 2.81 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.614 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.5 p -112.49 151.93 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -144.98 128.73 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 mt -95.09 136.08 35.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' ILE . 22.4 pttt -144.66 166.85 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 114.66 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HD12 ' A' ' 36' ' ' LEU . 16.9 mt -69.75 151.35 96.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.3 9.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.617 2.211 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.523 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 17.1 m120 -74.78 59.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 68' ' ' ASN . 7.5 m120 33.24 47.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 34.0 m-70 -147.01 179.56 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 64' ' ' LYS . 47.3 mt -146.89 127.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.82 -164.82 11.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.456 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 61' ' ' CYS . 5.8 tt -120.59 157.34 23.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.3 t -133.26 109.88 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 8.6 p90 -146.6 159.99 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 59.1 mt -105.85 105.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 126.99 13.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -97.82 -5.12 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.624 ' N ' HD11 ' A' ' 29' ' ' LEU . 37.4 mt-10 -145.12 165.95 26.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 105' ' ' GLN . 28.1 m -114.01 138.53 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.45 -134.95 5.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.81 104.88 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -96.36 131.97 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.6 118.32 36.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 87' ' ' ILE . 38.5 t -98.71 117.27 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 m -85.52 109.95 18.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.742 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -119.33 112.57 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -128.17 172.27 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -127.39 105.83 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 62.88 25.56 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.05 16.02 36.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 20.3 m-80 -130.88 102.66 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -34.48 144.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 47' ' ' LEU . 25.6 m -105.43 178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.57 147.58 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.409 ' O ' HG22 ' A' ' 99' ' ' VAL . 65.5 m-80 63.04 27.94 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.1 t -129.83 144.03 51.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.815 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.3 Cg_endo -69.77 153.02 92.84 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.6 t -85.44 121.26 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.9 m -88.44 122.59 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.605 HG21 ' CE2' ' A' ' 35' ' ' PHE . 46.4 mt -124.41 141.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.6 tpp -99.46 120.37 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.62 138.01 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.05 161.55 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG2' HG11 ' A' ' 80' ' ' VAL . 6.6 mm-40 -91.07 106.51 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 p -39.02 147.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -90.73 41.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 109' ' ' GLY . 2.4 pp -55.79 -32.33 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 108' ' ' ILE . . . 144.48 -130.6 4.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.06 114.51 28.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -95.81 75.53 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.32 -159.39 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 121.4 8.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.763 2.309 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 m -141.02 151.54 44.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 85.9 p -107.89 144.62 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -151.15 138.4 19.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p -158.18 156.81 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.59 -143.24 3.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.559 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -109.99 148.7 31.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -79.82 -58.98 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.77 82.78 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.727 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -58.81 142.96 83.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.99 11.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.76 -172.71 43.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 t -130.32 83.02 64.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.47 16.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.622 2.215 . . . . 0.0 112.393 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -43.99 136.86 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.0 m -50.38 122.38 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.71 131.94 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -109.15 134.38 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.24 161.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -54.48 110.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -40.64 134.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.2 179.07 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -100.55 33.86 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -70.22 148.83 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -104.02 38.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -129.7 179.76 5.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -98.2 124.42 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -112.08 131.37 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.6 t -134.68 160.3 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -93.97 118.68 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.9 126.62 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.64 9.36 61.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -135.13 162.54 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.98 110.0 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . . . -111.61 148.51 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -96.05 145.27 25.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 85.8 m-85 -120.9 113.54 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.24 111.93 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.2 133.3 48.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.94 101.93 13.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 41' ' ' GLU . 5.7 pt -129.89 137.89 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -78.31 46.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.2 mt-10 -132.5 121.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 62.9 m -99.44 -72.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -36.15 108.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 65' ' ' ARG . 4.3 mp -73.84 -59.72 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 p -47.04 -42.03 17.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -57.96 -33.51 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 41' ' ' GLU . 67.1 mt -89.03 165.92 14.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.39 152.26 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.13 117.36 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -152.64 141.69 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG12 HG13 ' A' ' 85' ' ' VAL . 64.1 mt -145.46 136.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -137.14 129.67 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.824 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -70.82 168.45 20.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.824 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.8 -13.36 34.45 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -98.43 11.39 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 74.4 24.66 72.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.78 109.25 20.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 150.74 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -130.44 144.52 53.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.83 3.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -119.53 140.2 50.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -138.78 122.29 17.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.5 mt -82.33 133.46 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -145.05 158.28 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HD3' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -85.1 134.29 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.01 154.73 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.04 36.04 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.674 2.249 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.5 m-20 72.95 33.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 55.79 41.3 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 7.1 m-70 -127.03 168.36 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.2 mt -143.49 148.58 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.82 162.75 31.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 61' ' ' CYS . 10.8 tt -104.46 152.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -126.79 126.58 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 19.3 p90 -158.5 153.67 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.94 105.35 41.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.63 6.55 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.267 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.05 -31.52 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -115.91 178.87 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 103' ' ' VAL . 23.2 m -125.11 141.38 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.54 -138.89 7.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -103.21 99.63 9.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -89.77 142.02 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.0 116.55 28.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.994 HG12 HD11 ' A' ' 87' ' ' ILE . 19.8 t -92.94 112.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.681 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -81.49 109.8 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.994 HD11 HG12 ' A' ' 85' ' ' VAL . 12.1 mm -122.67 114.96 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -129.52 174.89 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -128.44 106.46 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 60.88 26.0 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.94 15.55 38.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' HIS . 14.0 m-80 -130.53 102.43 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ASN . 20.1 m-70 -34.62 143.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.7 m -103.32 -177.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 145.42 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 65.35 25.01 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.563 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 18.1 t -127.68 145.14 53.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 97' ' ' SER . 52.8 Cg_endo -69.84 147.93 85.83 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.331 0.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.07 129.7 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 p -90.73 122.83 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 35' ' ' PHE . 97.9 mt -125.81 146.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.0 tpt -108.87 127.13 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 80' ' ' VAL . 44.4 t -120.2 141.02 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 m -154.21 156.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 129.0 35.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.9 p -78.98 -43.44 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.36 124.66 50.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.6 mt -42.69 -58.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.87 85.47 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -84.33 131.31 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 p -85.91 159.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.93 -157.81 8.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 101.28 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.341 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -57.33 155.71 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 t -162.67 133.85 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.433 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 28' ' ' LYS . 45.6 t -130.12 159.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 27' ' ' VAL . 42.8 mmtm -90.48 106.08 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 78' ' ' ARG . 9.5 tp -66.92 134.07 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 16.25 66.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -148.95 127.93 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 111.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.98 135.34 54.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.26 151.29 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 98.6 m-85 -131.25 123.43 28.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 66' ' ' LEU . 4.5 tp -92.43 108.0 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.0 pt? -120.36 140.2 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.55 98.19 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -122.84 139.01 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.478 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 42.3 m -83.53 37.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' CD ' ' C ' ' A' ' 40' ' ' SER . 8.8 mp0 -131.18 118.17 20.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 m -87.63 -61.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -38.49 122.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 65' ' ' ARG . 1.7 mt -87.93 -62.68 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -52.7 -46.02 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -53.44 -17.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.533 HD22 HG11 ' A' ' 94' ' ' VAL . 87.4 mt -101.75 162.89 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -113.24 153.62 28.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -127.23 116.77 21.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -149.0 141.5 24.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 85' ' ' VAL . 14.8 mt -141.9 149.07 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.0 tptt -145.22 106.37 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.64 169.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.77 -19.83 35.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m -94.58 5.04 53.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 82.86 25.13 50.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -102.64 110.32 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.44 148.82 22.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -133.88 143.97 49.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 106.6 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.739 ' HB2' HD11 ' A' ' 73' ' ' ILE . 26.8 p -110.7 144.52 39.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.64 122.15 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -89.14 133.56 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HE3' ' CB ' ' A' ' 74' ' ' SER . 5.3 ptpt -137.67 161.48 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.11 118.05 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 36' ' ' LEU . 85.2 mt -89.46 153.77 48.39 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.8 30.36 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 59.38 52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -136.99 160.89 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.92 134.0 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.34 27.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.9 tt -99.65 156.27 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.473 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t -136.26 110.26 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.7 p90 -136.25 163.3 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.1 mt -104.39 93.22 5.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.2 Cg_endo -69.82 129.57 17.75 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.605 ' O ' HD21 ' A' ' 29' ' ' LEU . 17.5 mmm180 -99.26 -34.81 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 8.3 tp10 -106.99 154.68 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 105' ' ' GLN . 30.7 m -105.59 140.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.31 -140.56 9.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.564 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -100.21 104.25 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.597 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 6.9 m80 -94.66 144.76 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.44 117.25 29.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.695 HG12 HD11 ' A' ' 87' ' ' ILE . 14.8 t -97.91 119.62 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.55 103.94 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 HG12 ' A' ' 85' ' ' VAL . 16.6 mm -112.67 113.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -131.12 171.18 13.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -124.45 106.6 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.99 29.55 19.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.09 18.49 39.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' HIS . 37.5 m-80 -130.76 102.59 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.8 m-70 -37.97 141.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 87' ' ' ILE . 18.7 m -103.77 178.7 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.32 54.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 68.77 25.73 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.565 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 19.6 t -126.73 145.06 52.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.673 0.749 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.4 Cg_endo -69.78 144.37 76.49 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.338 -0.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.23 126.6 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.3 p -88.88 135.57 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.4 mt -137.85 142.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.5 tpt -101.78 123.72 46.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.59 128.01 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 26' ' ' GLN . 25.9 m -137.11 145.2 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.596 ' HG3' HG11 ' A' ' 80' ' ' VAL . 68.2 mt-30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.2 149.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -89.84 103.06 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 78' ' ' ARG . 12.5 tp -60.19 140.04 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.99 19.99 79.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -148.12 137.7 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 111.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.6 136.97 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.93 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 101' ' ' ILE . 97.5 m-85 -133.7 125.22 28.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tp -92.57 111.63 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -121.33 129.98 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.1 t70 -78.19 99.76 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 pt -131.14 138.24 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.435 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 67.8 p -85.82 29.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 3.3 mp0 -120.45 115.99 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -115.04 38.83 3.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LEU . 13.3 m-20 -127.13 72.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' ASP . 4.6 mp -36.67 -69.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -42.1 -64.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.4 m -47.13 -29.55 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 41' ' ' GLU . 27.1 mt -95.93 156.9 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -118.25 155.54 30.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -128.55 122.1 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -145.4 142.0 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 85' ' ' VAL . 67.3 mt -143.46 128.21 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -128.09 103.75 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.33 168.45 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.736 . . . . 0.0 111.042 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.849 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.0 Cg_endo -69.68 -18.34 37.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -96.07 5.63 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.46 53.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -101.66 118.54 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.78 150.88 48.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -130.15 141.86 43.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.704 0.764 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 91.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.86 ' HB2' HD11 ' A' ' 73' ' ' ILE . 11.3 p -96.43 137.48 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.09 117.42 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -77.81 133.16 38.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -143.53 155.9 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -82.85 136.84 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 34.0 mt -106.25 155.49 38.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.726 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.44 21.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 66.43 30.8 8.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.8 50.02 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 11.0 m-70 -134.43 166.57 22.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 72' ' ' GLY . 55.0 mt -143.95 153.05 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -160.1 175.61 36.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.439 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.4 tt -109.72 146.22 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -126.68 118.76 25.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.3 p90 -151.28 158.52 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mt -102.42 97.6 9.13 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 123.07 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.413 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.95 -28.24 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -121.62 170.32 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 103' ' ' VAL . 26.9 m -118.67 143.12 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.7 -144.65 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -100.58 99.31 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -92.13 143.47 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.5 mt -114.38 114.3 25.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 HG12 ' A' ' 51' ' ' ILE . 17.3 t -93.19 112.62 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 110.09 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mm -120.76 115.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 25.9 mttt -133.86 172.26 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -128.92 109.67 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' N ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 m120 61.3 27.13 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.42 16.56 45.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' HIS . 44.7 m-80 -130.83 103.55 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-70 -36.39 143.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 47' ' ' LEU . 17.0 m -104.28 -176.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.93 147.12 49.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 38' ' ' ASP . 76.7 m-20 62.08 29.85 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 38.1 t -131.66 143.33 48.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.78 150.85 90.87 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.304 0.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.86 118.25 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -82.68 124.67 30.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 35' ' ' PHE . 77.3 mt -126.84 139.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.4 tpt -104.99 117.4 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 80' ' ' VAL . 60.5 t -105.62 135.53 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.24 161.04 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 80' ' ' VAL . 67.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.885 0.374 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.23 148.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -83.18 104.01 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 79' ' ' GLU . 12.0 tp -58.63 121.38 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.87 47.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 m -144.75 121.29 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.42 115.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.54 135.45 55.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.95 154.1 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 57.8 m-85 -137.83 122.74 18.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 66' ' ' LEU . 12.3 tp -89.47 116.54 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.9 pt? -125.01 145.0 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.14 96.7 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 41' ' ' GLU . 3.3 pt -118.82 126.09 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -63.13 -10.57 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 39' ' ' ILE . 13.2 mm-40 -104.29 125.47 50.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 p -89.34 -61.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.8 106.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.5 mp -73.31 -47.62 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.4 m -43.98 -59.38 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -53.7 -22.98 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 94' ' ' VAL . 89.1 mt -97.68 161.78 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -109.36 157.73 18.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -133.96 123.24 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -148.5 139.44 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.636 HG12 HG22 ' A' ' 85' ' ' VAL . 57.3 mt -145.43 138.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -147.97 121.99 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.812 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -48.39 167.64 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.812 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.68 -15.38 37.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -87.78 -1.6 58.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.35 19.82 40.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -60.84 163.37 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 58' ' ' ASP . 10.9 mm-40 -141.3 141.07 22.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 93.11 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 73' ' ' ILE . 28.5 p -105.55 147.78 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 62' ' ' LEU . 1.1 tm? -143.8 122.31 12.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.4 mt -79.97 127.19 31.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' ILE . 4.1 ptmt -144.0 176.88 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 71' ' ' ILE . 5.7 tpt180 -93.42 143.48 26.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.579 ' CD1' HD12 ' A' ' 36' ' ' LEU . 89.0 mt -97.22 152.43 38.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.569 0.7 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.298 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.3 m120 -74.89 59.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASN . 10.9 t-20 34.16 42.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 31.7 m-70 -143.78 -174.99 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.766 HD11 HH11 ' A' ' 65' ' ' ARG . 35.0 mt -143.68 137.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' HG ' ' A' ' 66' ' ' LEU . . . -146.63 -175.22 19.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.4 tt -111.44 151.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.78 109.28 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -142.19 164.18 30.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 45.5 mt -110.7 105.87 57.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 55.0 Cg_endo -69.65 128.89 16.78 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.46 -7.59 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 -140.32 177.97 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 103' ' ' VAL . 18.0 m -125.25 140.66 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.26 -137.38 6.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -107.91 102.37 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -90.29 143.15 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.41 120.64 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 87' ' ' ILE . 17.8 t -99.67 125.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -90.52 107.28 19.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 85' ' ' VAL . 16.7 mm -118.42 109.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 11.9 mttt -130.16 172.43 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -125.21 106.08 9.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 61.42 28.82 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.8 15.64 45.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' HIS . 68.5 m-80 -129.35 101.46 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.443 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 25.5 m-70 -35.22 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 47' ' ' LEU . 18.8 m -107.76 -176.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.74 146.81 51.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 62.31 30.15 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 37.3 t -132.48 142.23 44.15 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.704 0.764 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.83 161.04 87.19 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.621 -1.825 . . . . 0.0 112.402 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.3 138.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -102.62 110.72 22.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.6 mt -110.77 146.67 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.5 tpt -110.55 117.19 32.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 80' ' ' VAL . 59.7 t -108.8 140.87 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.7 144.91 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.29 153.24 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -92.67 137.43 32.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 79' ' ' GLU . 8.1 tp -79.49 140.97 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.71 76.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 76' ' ' ILE . 66.2 m -137.3 135.52 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 107.59 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.93 140.0 49.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.97 158.3 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 75' ' ' PHE . 94.1 m-85 -136.41 123.12 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -93.35 104.78 16.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -115.79 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -90.98 101.39 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 pt -128.23 137.11 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -84.24 34.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.7 mm-40 -130.17 118.81 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 43' ' ' ASP . 6.6 t -93.06 -44.46 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 42' ' ' THR . 8.2 t0 -51.72 113.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 42' ' ' THR . 2.9 mp -78.97 -60.56 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -46.81 -50.54 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -52.8 -34.24 52.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 94' ' ' VAL . 96.3 mt -87.45 160.93 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 49' ' ' ALA . 11.1 m -114.16 157.0 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 48' ' ' THR . . . -130.4 119.45 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -152.16 138.37 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 85' ' ' VAL . 20.0 mt -137.93 132.89 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -134.37 103.1 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.84 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.278 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -96.72 9.02 42.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.05 62.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.403 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -100.14 115.47 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 155.09 34.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -139.02 143.69 38.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 101.01 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.75 ' HB2' HD11 ' A' ' 73' ' ' ILE . 12.9 p -108.2 145.08 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.66 128.16 19.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.7 mt -92.42 132.15 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 71' ' ' ILE . 10.1 ptpt -142.09 170.26 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -95.55 129.15 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 70.7 mt -100.02 153.85 37.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 176.68 6.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m120 61.24 28.36 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.8 47.95 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' C ' ' HB2' ' A' ' 66' ' ' LEU . 8.6 m-70 -133.28 167.49 20.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' LYS . 48.7 mt -144.04 144.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.14 164.82 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.2 tt -104.69 153.51 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 m -124.7 124.82 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 35' ' ' PHE . 12.8 p90 -159.28 161.25 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 31' ' ' SER . 28.6 mt -108.77 109.14 61.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.81 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.736 2.29 . . . . 0.0 112.319 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -89.73 -18.76 25.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.3 mp0 -132.36 164.14 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 105' ' ' GLN . 22.7 m -108.95 138.85 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.0 -146.13 15.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -100.9 100.01 10.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -87.34 141.99 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 98' ' ' PRO . 19.1 mt -116.15 116.1 27.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 87' ' ' ILE . 9.6 t -94.72 112.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -79.0 110.17 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HG12 ' A' ' 85' ' ' VAL . 20.4 mm -121.21 117.48 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 12.5 mttt -135.54 171.15 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -122.56 109.69 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.809 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 55.88 28.41 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.16 17.83 33.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 70.9 m-80 -130.49 99.08 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 10.5 m-70 -35.55 141.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 47' ' ' LEU . 18.0 m -101.34 -178.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.38 147.82 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 61.16 26.72 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 42.8 t -125.59 142.51 42.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 0.0 110.798 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.33 131.36 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -94.26 117.89 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.518 HG21 ' CE1' ' A' ' 35' ' ' PHE . 84.0 mt -121.25 145.01 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 tpt -108.6 120.35 42.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.9 t -115.59 133.98 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.15 136.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.431 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.1 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 28' ' ' LYS . 38.2 t -140.17 156.89 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 27' ' ' VAL . 12.3 mmmm -88.03 115.86 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' C ' ' A' ' 78' ' ' ARG . 16.3 tp -68.82 131.3 44.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.85 51.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.423 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -152.67 127.85 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 112.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.17 144.11 46.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.9 151.03 26.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 75' ' ' PHE . 90.8 m-85 -132.23 112.65 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -83.98 123.13 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.58 136.01 38.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -83.82 99.88 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 41' ' ' GLU . 8.3 pt -133.19 136.07 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 m -81.71 44.28 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 47' ' ' LEU . 6.5 mt-10 -126.67 132.0 51.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 22.6 p -109.73 -69.57 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' O ' HD12 ' A' ' 47' ' ' LEU . 17.8 m-20 -35.37 123.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -88.16 -57.19 3.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 p -53.95 -48.0 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -54.46 -26.6 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 41' ' ' GLU . 23.7 mt -98.48 164.18 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.51 146.37 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -122.21 124.4 43.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -150.92 138.91 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 HG13 ' A' ' 85' ' ' VAL . 38.6 mt -137.12 134.12 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -134.24 103.05 5.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.45 169.37 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.75 -17.08 37.83 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -98.94 10.81 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.59 20.15 74.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -94.85 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.06 148.26 52.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 75' ' ' PHE . 77.6 mt-10 -130.83 143.1 47.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 90.34 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.784 2.322 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' A' ' 73' ' ' ILE . 7.1 p -99.4 146.17 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -144.81 139.25 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 49.0 mt -93.26 132.94 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -144.91 154.95 43.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.577 HH11 HD11 ' A' ' 71' ' ' ILE . 9.6 tpt180 -86.68 132.07 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.8 mt -100.03 153.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.99 22.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 69.7 25.78 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.54 50.36 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' C ' HG13 ' A' ' 71' ' ' ILE . 8.0 m-70 -134.4 166.06 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.577 HD11 HH11 ' A' ' 65' ' ' ARG . 55.1 mt -144.99 144.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.49 174.95 32.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 61' ' ' CYS . 6.9 tt -109.84 148.3 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.37 120.67 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 9.2 p90 -154.44 152.48 30.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 35.2 mt -97.76 104.72 22.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.686 0.755 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 129.47 17.63 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' C ' HD11 ' A' ' 29' ' ' LEU . 1.5 mpt_? -99.3 -26.55 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' N ' HD11 ' A' ' 29' ' ' LEU . 12.9 tt0 -129.94 167.82 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 103' ' ' VAL . 33.8 m -112.22 144.5 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.09 -141.44 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -103.03 100.61 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -89.97 142.53 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -116.29 114.8 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 51' ' ' ILE . 4.8 t -95.42 120.71 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.4 m -87.3 111.52 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 86' ' ' SER . 19.9 mm -120.36 116.78 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -135.73 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -125.18 104.2 8.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 62.06 26.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.44 17.66 30.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 67.8 m-80 -130.97 101.09 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -35.64 147.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.6 m -106.84 -176.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 145.28 45.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 64.68 28.62 13.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 27.8 t -126.98 144.51 50.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.83 157.66 92.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.319 0.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -80.65 116.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.7 p -82.0 115.12 21.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.8 mt -120.44 141.75 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 tpt -109.96 119.72 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 80' ' ' VAL . 58.2 t -109.6 137.21 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.3 143.37 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.476 ' HG2' HG11 ' A' ' 80' ' ' VAL . 12.2 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 35' ' ' PHE . 17.1 t -118.79 154.12 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.25 123.58 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 80' ' ' VAL . 7.5 tp -66.23 131.37 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.42 24.01 66.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -144.45 121.65 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 117.34 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -126.1 152.73 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -91.26 148.81 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 96.2 m-85 -130.81 123.52 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 66' ' ' LEU . 5.1 tp -89.04 111.98 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 99' ' ' VAL . 2.0 pt? -118.33 133.51 55.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.23 100.52 7.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 41' ' ' GLU . 5.2 pt -129.74 120.67 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -63.48 -8.34 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.48 120.9 40.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.874 HG23 HD11 ' A' ' 71' ' ' ILE . 59.0 m -91.96 -59.63 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -34.89 109.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD21 ' CA ' ' A' ' 64' ' ' LYS . 5.4 mp -71.88 -58.28 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.4 m -43.12 -57.59 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -48.99 -32.38 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 41' ' ' GLU . 58.8 mt -97.89 161.23 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 49' ' ' ALA . 9.7 m -111.89 165.33 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -132.45 121.68 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -151.02 143.73 24.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 85' ' ' VAL . 96.9 mt -142.75 137.94 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 24.2 tptt -132.57 105.23 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.889 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.76 169.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 111.078 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.889 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.7 Cg_endo -69.77 -17.56 37.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.47 5.73 50.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 22.56 59.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.87 113.32 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.58 159.63 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -141.76 143.36 28.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.69 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 73' ' ' ILE . 13.3 p -98.28 145.49 26.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 49' ' ' ALA . 6.7 mt -74.65 131.58 41.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CA ' HD21 ' A' ' 44' ' ' LEU . 10.4 ptmm? -142.14 170.46 15.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -91.37 143.4 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 36' ' ' LEU . 20.8 mt -114.95 155.04 46.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.276 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.48 25.38 14.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.35 44.45 5.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.409 ' C ' HG13 ' A' ' 71' ' ' ILE . 6.6 m-70 -129.05 173.62 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.874 HD11 HG23 ' A' ' 42' ' ' THR . 58.4 mt -144.1 147.14 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.32 173.86 35.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.8 tt -107.58 158.19 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -130.62 112.64 13.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.583 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.0 p90 -147.59 158.18 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.5 mt -101.64 98.56 9.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.23 -23.36 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' C ' HD11 ' A' ' 29' ' ' LEU . 7.0 mp0 -123.11 172.99 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.734 HG13 HD13 ' A' ' 29' ' ' LEU . 7.8 m -118.97 153.3 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 138.62 -136.14 7.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -111.74 99.88 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.26 137.49 33.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 mt -106.87 114.37 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 87' ' ' ILE . 16.6 t -93.96 117.34 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.3 m -86.65 107.04 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.752 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -116.38 115.47 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -131.69 172.78 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.91 104.66 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.33 26.25 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.45 16.99 37.97 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' HIS . 69.3 m-80 -130.23 100.4 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 15.6 m-70 -34.47 141.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.677 HG11 HD22 ' A' ' 47' ' ' LEU . 34.8 m -101.72 -176.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.23 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 70.63 27.16 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.0 t -128.55 143.17 47.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.6 Cg_endo -69.73 156.92 92.48 Favored 'Cis proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.348 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 37' ' ' LEU . 41.0 t -88.62 122.57 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 m -80.8 129.98 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 102' ' ' MET . 89.5 mt -127.65 154.65 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.457 ' N ' HG22 ' A' ' 101' ' ' ILE . 9.3 tpt -119.34 125.68 49.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 80' ' ' VAL . 48.8 t -118.87 133.96 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.8 151.27 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' HG11 ' A' ' 80' ' ' VAL . 16.0 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.68 153.25 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -93.49 113.79 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.5 tp -62.62 151.12 38.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.45 17.39 53.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -137.91 119.44 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.63 140.03 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.68 156.38 27.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 80.7 m-85 -140.52 118.36 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 70' ' ' HIS . 5.9 tp -93.39 115.96 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -123.53 141.3 52.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.02 97.23 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.98 131.18 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 44.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 47' ' ' LEU . 78.1 mm-40 -133.36 118.18 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -109.56 34.86 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 5.3 m-20 -126.9 79.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.91 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -41.73 -57.19 2.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 50.3 m -44.7 -36.11 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 41' ' ' GLU . 56.8 mt -90.02 163.66 14.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.15 146.91 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -115.11 121.88 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -148.02 125.35 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 85' ' ' VAL . 62.5 mt -130.01 145.3 35.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -45.44 168.65 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.79 -14.52 36.11 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.608 2.206 . . . . 0.0 112.383 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -89.31 -0.83 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.77 20.43 50.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -102.27 115.4 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.376 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.7 144.08 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -122.14 143.84 40.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 98.83 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.731 ' HB2' HD11 ' A' ' 73' ' ' ILE . 22.6 p -112.07 145.17 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.37 121.31 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 13.5 mt -80.83 137.65 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -145.35 159.7 42.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -89.63 118.06 28.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.1 mt -88.76 154.29 50.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 178.79 4.25 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.733 2.289 . . . . 0.0 112.278 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 59.48 30.48 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 59.29 48.97 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 36' ' ' LEU . 9.9 m-70 -133.9 159.71 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.3 mt -145.08 136.51 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.75 -173.56 16.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.1 tt -117.38 147.38 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -125.06 120.29 31.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.414 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.4 p90 -150.95 172.41 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 67.0 mt -118.13 100.46 51.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.69 132.4 23.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.758 2.305 . . . . 0.0 112.347 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.49 -2.73 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 29' ' ' LEU . 56.6 mt-10 -141.49 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.702 HG11 ' HG3' ' A' ' 105' ' ' GLN . 25.2 m -118.61 144.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.2 -141.38 10.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -105.99 101.39 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 17.1 m80 -87.75 142.22 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.17 117.16 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 51' ' ' ILE . 14.6 t -98.41 113.61 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -82.56 109.9 17.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 94' ' ' VAL . 33.6 mm -117.42 112.25 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -131.0 172.33 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HG2' ' ND2' ' A' ' 90' ' ' ASN . 21.0 ttmt -127.34 106.07 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 89' ' ' LYS . 69.5 m-20 62.45 27.67 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.85 17.55 37.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.89 103.32 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -39.7 144.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 47' ' ' LEU . 17.9 m -108.67 -178.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.2 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 8.3 m-80 59.21 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 36.6 t -131.8 143.38 48.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.5 Cg_endo -69.77 153.91 93.13 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 -1.786 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.1 t -86.15 118.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -80.48 135.94 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.0 mt -133.75 143.92 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 tpt -105.29 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.413 HG12 HG12 ' A' ' 80' ' ' VAL . 46.3 t -118.15 125.92 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.81 152.97 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.702 ' HG3' HG11 ' A' ' 80' ' ' VAL . 21.1 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.5 t -131.17 151.43 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -89.15 110.16 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' N ' ' A' ' 79' ' ' GLU . 13.4 tp -64.7 126.02 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.99 24.9 39.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m -150.44 132.31 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.05 138.69 53.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.9 151.11 31.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 101' ' ' ILE . 83.8 m-85 -135.97 127.64 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 66' ' ' LEU . 7.1 tp -93.77 108.47 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.3 pt? -107.5 131.37 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.06 98.71 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.438 HG23 ' HG ' ' A' ' 37' ' ' LEU . 5.5 pt -133.57 153.24 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.411 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 43.4 m -106.88 32.72 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.8 mp0 -119.9 127.85 53.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.9 t -91.98 -44.06 9.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 m-20 -58.81 133.77 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' C ' ' A' ' 64' ' ' LYS . 3.3 mp -102.16 -56.49 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -51.54 -49.31 62.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 m -58.1 -17.77 20.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 167.91 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -121.32 159.04 26.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.736 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -140.2 120.42 13.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.036 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -149.23 134.91 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 85' ' ' VAL . 61.6 mt -131.17 134.14 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.7 tptt -132.99 104.54 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.18 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.77 -17.76 37.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -96.77 8.17 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.14 24.62 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.24 114.57 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.91 156.55 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -137.25 143.72 42.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.72 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.717 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.4 p -93.69 144.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.19 131.89 31.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.1 mt -92.14 135.83 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.724 ' C ' HD21 ' A' ' 44' ' ' LEU . 10.2 ptpt -143.85 172.01 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -98.07 123.43 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 36' ' ' LEU . 87.1 mt -93.9 154.28 40.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 60.78 33.32 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.84 49.17 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -134.46 166.79 22.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.0 mt -141.11 143.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.39 166.83 31.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 61' ' ' CYS . 14.9 tt -103.71 159.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.181 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -136.27 116.09 13.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 5.9 p90 -147.88 158.97 44.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -103.0 95.78 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.497 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.0 Cg_endo -69.82 132.7 23.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.51 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -102.47 -16.72 16.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.567 ' N ' HD11 ' A' ' 29' ' ' LEU . 2.0 tt0 -125.63 167.04 15.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 105' ' ' GLN . 20.3 m -117.67 135.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.84 -142.42 9.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.98 111.71 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -104.87 132.65 50.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.23 115.37 30.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 87' ' ' ILE . 16.3 t -95.3 112.72 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -80.79 113.26 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.867 HD11 HG12 ' A' ' 85' ' ' VAL . 15.6 mm -126.67 118.65 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 92' ' ' ASN . 19.8 mttt -135.34 172.63 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -124.69 104.0 8.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 64.08 27.59 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.99 16.82 39.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' HIS . 79.0 m-20 -130.78 102.23 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.9 m-70 -34.44 141.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 87' ' ' ILE . 31.7 m -104.71 174.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.9 144.73 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 63.67 33.58 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 33.2 t -137.82 143.61 40.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.82 157.98 91.65 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.288 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 37' ' ' LEU . 40.0 t -85.68 125.43 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.0 p -90.06 109.72 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 35' ' ' PHE . 56.5 mt -112.97 142.72 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.9 tpp -109.08 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.22 136.94 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.1 170.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HG3' HG11 ' A' ' 80' ' ' VAL . 26.3 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 35' ' ' PHE . 3.0 t -141.79 155.76 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -85.1 131.04 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 HG13 ' A' ' 80' ' ' VAL . 4.2 tp -82.53 133.02 35.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.83 6.89 87.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -129.86 120.58 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.45 116.1 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.51 49.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.15 144.7 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 51.5 m-85 -122.59 113.52 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 66' ' ' LEU . 7.1 tp -83.96 105.69 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.04 144.67 48.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -90.85 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.59 120.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -82.39 43.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -131.14 116.15 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.6 p -96.35 -175.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LEU . 6.2 m-20 70.45 49.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.686 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.9 mp -37.73 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -56.81 -51.41 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -57.13 -23.96 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.724 HD22 HG11 ' A' ' 94' ' ' VAL . 70.3 mt -94.85 160.74 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.54 153.61 22.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -128.36 123.63 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.041 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t -149.6 139.75 22.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 85' ' ' VAL . 60.4 mt -142.24 135.14 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -136.32 121.59 19.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -62.68 167.14 6.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -97.9 9.89 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.19 23.05 72.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -105.1 108.74 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.19 35.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 10.8 mp0 -131.4 141.06 40.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.696 0.76 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 p -108.8 145.64 34.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.36 123.44 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.8 mt -77.5 131.59 37.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.97 151.48 38.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -78.55 147.98 33.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 36' ' ' LEU . 40.1 mt -119.83 155.02 55.37 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 69.04 30.08 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 57.67 49.62 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -137.01 173.3 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 72' ' ' GLY . 52.0 mt -141.12 152.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -158.63 156.42 27.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.31 146.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -117.3 114.5 23.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 13.7 p90 -148.62 162.27 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.0 mt -109.51 105.33 57.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.8 115.38 4.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -79.46 -17.78 53.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' C ' HD11 ' A' ' 29' ' ' LEU . 4.5 mm-40 -141.09 -177.27 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 103' ' ' VAL . 33.3 m -123.88 145.76 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.1 -142.32 11.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -100.4 101.73 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.46 141.17 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.83 114.5 26.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.791 HG12 HD11 ' A' ' 87' ' ' ILE . 18.7 t -94.09 113.58 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.1 m -83.66 112.95 20.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.791 HD11 HG12 ' A' ' 85' ' ' VAL . 20.7 mm -121.97 117.6 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -135.91 172.45 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HE3' HD21 ' A' ' 47' ' ' LEU . 30.7 ttmt -127.07 108.35 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 60.21 26.97 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.91 17.41 35.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' HIS . 74.4 m-20 -130.35 102.88 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 11.4 m-70 -36.41 151.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.724 HG11 HD22 ' A' ' 47' ' ' LEU . 30.0 m -113.27 -179.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.98 149.79 50.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 99' ' ' VAL . 12.2 m-80 56.86 35.54 26.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.0 t -135.49 142.55 41.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.76 151.96 91.88 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.292 0.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.5 t -84.0 120.58 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.5 p -82.24 131.23 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.454 HG21 ' CE2' ' A' ' 35' ' ' PHE . 80.4 mt -129.53 143.73 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.7 tpt -108.09 117.58 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 80' ' ' VAL . 86.2 t -109.59 133.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.14 135.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.53 HE22 HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 104' ' ' VAL . 11.1 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.816 0.341 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.26 149.44 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.75 118.82 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' C ' ' A' ' 78' ' ' ARG . 28.8 tp -80.13 120.63 24.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.11 14.39 45.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -142.58 147.43 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.52 138.75 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -93.48 140.97 28.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 48.5 m-85 -124.06 108.49 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 70' ' ' HIS . 7.8 tp -85.99 114.88 23.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -126.55 139.02 53.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.07 103.34 13.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -129.62 146.98 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 t -84.84 34.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 47' ' ' LEU . 45.0 mm-40 -133.12 133.46 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 71' ' ' ILE . 53.7 m -116.04 -56.89 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.4 m-20 -38.6 98.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 ' CA ' ' A' ' 64' ' ' LYS . 2.6 mp -59.66 -61.55 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -48.14 -47.63 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 17.4 m -54.27 -32.62 56.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 41' ' ' GLU . 77.1 mt -93.31 172.63 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -132.44 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.642 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -121.78 122.16 38.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -146.67 137.23 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.703 HG12 HG22 ' A' ' 85' ' ' VAL . 56.2 mt -137.43 132.25 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' ALA . 5.3 tptm -126.87 101.14 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.61 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.75 -15.34 37.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.5 p -97.65 7.68 46.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.36 15.77 79.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.03 122.39 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.39 153.05 44.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -129.16 143.82 50.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.607 2.205 . . . . 0.0 112.311 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD11 ' A' ' 73' ' ' ILE . 5.1 p -90.08 145.71 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.1 120.61 11.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -85.3 144.15 28.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' CA ' HD21 ' A' ' 44' ' ' LEU . 9.2 ptmm? -148.44 178.09 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 115.57 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 95.7 mt -84.06 153.79 63.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 175.21 8.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.617 2.212 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.0 m120 62.02 30.1 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 61.8 41.73 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.1 m-70 -123.21 157.89 32.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 42' ' ' THR . 43.8 mt -145.1 135.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.57 -170.9 16.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 61' ' ' CYS . 18.0 tt -110.08 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -134.8 108.58 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.2 p90 -145.05 161.61 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.84 102.11 46.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.16 27.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.686 ' C ' HD11 ' A' ' 29' ' ' LEU . 2.7 mpt_? -103.27 -12.47 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.609 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.4 mt-10 -133.89 162.37 32.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 103' ' ' VAL . 15.5 m -113.1 143.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.22 -135.07 5.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -103.96 104.57 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -99.63 128.28 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.6 120.36 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 51' ' ' ILE . 23.9 t -99.96 114.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.93 111.26 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 85' ' ' VAL . 16.1 mm -119.5 119.49 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HA ' HG13 ' A' ' 94' ' ' VAL . 14.4 mttt -137.31 172.0 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -127.08 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 58.54 26.08 13.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.74 33.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.8 m-80 -130.83 101.77 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.4 m-70 -34.65 145.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG11 HD22 ' A' ' 47' ' ' LEU . 17.2 m -108.24 179.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.57 145.44 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 65.1 29.12 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.4 t -131.31 142.79 46.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.77 147.17 84.13 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.287 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.98 119.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.2 p -84.56 119.36 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 mt -125.93 141.91 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -106.8 116.89 32.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 80' ' ' VAL . 58.3 t -100.8 131.99 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 26' ' ' GLN . 11.2 m -135.69 171.86 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.457 ' NE2' ' HB3' ' A' ' 29' ' ' LEU . 1.9 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.84 0.352 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 28' ' ' LYS . 23.7 t -137.15 155.96 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -93.04 114.85 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' C ' ' A' ' 78' ' ' ARG . 13.7 tp -79.18 113.71 17.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.92 13.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' ILE . 3.9 t -152.02 145.19 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.6 107.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.21 128.9 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -86.44 135.4 33.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.675 ' CE2' HG21 ' A' ' 101' ' ' ILE . 94.9 m-85 -119.44 122.95 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.27 117.76 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -128.49 158.28 38.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.18 97.91 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -120.73 148.27 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -89.91 31.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 38.9 mm-40 -126.04 120.29 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.1 t -92.78 -46.76 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 42' ' ' THR . 1.1 m-20 -48.75 126.22 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.7 mt -90.3 -59.68 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -58.59 -45.44 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 42.8 m -54.39 -18.96 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' ' 41' ' ' GLU . 87.0 mt -101.59 164.65 11.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -114.44 150.32 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -128.31 116.6 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t -147.99 144.58 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.41 HD12 ' CG ' ' A' ' 75' ' ' PHE . 52.3 mt -143.89 134.85 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 13.8 tptt -133.83 103.58 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.861 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.06 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.861 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.9 Cg_endo -69.74 -17.99 37.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -96.07 8.09 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 21.44 61.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.562 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -98.69 120.97 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.45 146.0 41.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -125.87 144.05 47.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.13 144.84 29.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.83 120.15 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 44' ' ' LEU . 12.7 mt -78.61 134.29 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' ILE . 11.4 ptmm? -140.95 177.43 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.65 121.51 44.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 96.0 mt -90.64 153.64 45.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 173.96 10.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 t-20 65.28 27.54 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 62.78 44.87 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 8.2 m-70 -129.56 160.23 33.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LYS . 96.6 mt -145.02 140.6 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.59 -177.24 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.55 150.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -127.47 110.65 12.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 51' ' ' ILE . 8.2 p90 -146.96 160.38 42.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 31' ' ' SER . 7.6 mt -104.5 100.66 23.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.64 ' C ' HD11 ' A' ' 29' ' ' LEU . 9.9 tpt180 -92.16 -34.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.818 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 7.6 tp10 -111.42 153.78 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 103' ' ' VAL . 26.8 m -103.73 141.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.29 -136.76 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -104.55 104.79 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -96.94 136.76 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -107.44 116.25 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.915 HG12 HD11 ' A' ' 87' ' ' ILE . 13.4 t -94.74 114.27 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -82.68 108.65 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.915 HD11 HG12 ' A' ' 85' ' ' VAL . 11.0 mm -120.46 113.95 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 23.1 mttt -132.71 173.63 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -131.35 111.99 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 90' ' ' ASN . 1.1 m-80 61.12 28.94 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.75 17.48 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' HIS . 73.8 m-20 -130.87 102.64 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' ASN . 10.7 m-70 -34.11 143.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.3 m -100.27 178.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.03 139.45 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 69.09 28.54 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.561 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 11.1 t -128.45 146.51 60.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.78 159.21 90.11 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.334 0.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.17 122.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -84.44 118.9 24.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.2 mt -122.05 145.03 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.0 tpt -108.0 118.04 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -104.72 137.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.81 153.38 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.495 ' CG ' HG11 ' A' ' 80' ' ' VAL . 9.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 33' ' ' ALA . 5.6 t -137.47 167.21 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 27' ' ' VAL . 1.8 mppt? -104.8 118.81 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.8 tp -69.66 112.38 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.03 6.98 29.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -139.29 133.14 30.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 117.33 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -114.78 155.28 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.44 152.81 18.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 64.6 m-85 -133.42 114.97 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 66' ' ' LEU . 6.8 tp -86.47 118.3 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 99' ' ' VAL . 1.8 pt? -133.23 135.36 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -81.95 102.71 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.13 140.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.4 m -80.01 47.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.9 mt-10 -134.71 114.54 12.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -93.84 -27.3 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -76.81 140.94 40.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -102.7 -58.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -52.23 -43.45 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 m -59.22 -25.63 64.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 HG11 ' A' ' 94' ' ' VAL . 59.6 mt -92.75 170.0 10.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -119.13 151.36 38.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.2 116.89 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -150.18 131.72 14.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.537 ' CG1' HG13 ' A' ' 85' ' ' VAL . 45.8 mt -140.82 152.28 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -159.05 121.14 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.832 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -47.8 168.32 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 111.04 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.832 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -15.52 37.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -88.66 -1.13 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.35 20.56 41.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -103.7 111.19 23.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 161.09 1.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -141.44 143.96 32.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.767 ' HB2' HD11 ' A' ' 73' ' ' ILE . 23.0 p -108.56 137.93 45.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -136.18 119.89 17.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.69 130.72 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.72 166.22 24.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH2' ' HA ' ' A' ' 69' ' ' ASN . 12.2 tpt180 -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 36' ' ' LEU . 92.1 mt -104.85 154.46 38.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.9 11.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 6.8 m-20 61.38 41.26 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 11.5 t-20 49.6 49.91 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 33.6 m-70 -133.14 163.08 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 70' ' ' HIS . 46.6 mt -144.32 142.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.55 169.48 31.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.0 tt -105.23 154.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 t -131.03 122.67 27.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.3 p90 -152.62 159.52 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -102.61 100.92 17.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.8 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' C ' HD11 ' A' ' 29' ' ' LEU . 5.9 tpt180 -87.62 -30.14 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' N ' HD11 ' A' ' 29' ' ' LEU . 7.3 tt0 -120.1 171.34 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.617 HG11 ' HG3' ' A' ' 105' ' ' GLN . 16.9 m -115.4 142.48 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.99 -142.83 10.94 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -102.75 103.98 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.46 116.39 28.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.971 HG12 HD11 ' A' ' 87' ' ' ILE . 10.6 t -96.94 112.66 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.5 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.0 m -83.9 106.89 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.971 HD11 HG12 ' A' ' 85' ' ' VAL . 13.5 mm -118.53 114.23 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -130.93 172.97 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -126.88 105.29 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 60.38 28.13 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.95 17.63 34.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -130.65 102.67 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.62 143.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 87' ' ' ILE . 35.7 m -103.09 -178.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 146.74 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 99' ' ' VAL . 38.9 m-80 62.71 27.75 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 30.1 t -128.98 144.18 51.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 145.29 79.19 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.603 -1.832 . . . . 0.0 112.355 0.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.547 HG21 HD13 ' A' ' 37' ' ' LEU . 40.5 t -77.44 124.96 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.8 p -87.49 131.78 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 35' ' ' PHE . 84.5 mt -128.48 146.39 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.9 tpt -111.31 118.91 37.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 80' ' ' VAL . 58.0 t -111.53 131.21 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.49 143.71 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.617 ' HG3' HG11 ' A' ' 80' ' ' VAL . 54.0 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 28' ' ' LYS . 11.8 t -129.78 162.65 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' N ' HG12 ' A' ' 27' ' ' VAL . 26.0 mmtp -96.32 105.93 18.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' C ' ' A' ' 78' ' ' ARG . 15.5 tp -59.09 139.39 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.67 21.58 78.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -147.88 127.81 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.13 130.66 39.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.34 39.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.52 151.02 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD2' HD13 ' A' ' 101' ' ' ILE . 35.5 m-85 -135.49 112.04 9.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 70' ' ' HIS . 4.1 tp -88.78 124.51 34.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.5 pt? -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -80.68 99.4 8.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -125.6 137.83 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -84.22 37.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB3' HD21 ' A' ' 47' ' ' LEU . 62.6 mm-40 -133.06 124.13 27.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' ASP . 17.7 p -90.15 -64.9 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-20 -35.41 125.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.7 mt -83.75 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 t -53.38 -43.47 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 7.4 m -55.88 -23.67 32.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 41' ' ' GLU . 30.6 mt -99.84 166.85 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 49' ' ' ALA . 7.0 m -126.07 160.56 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -135.72 124.72 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -150.18 135.12 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.808 HG12 HG22 ' A' ' 85' ' ' VAL . 65.9 mt -142.96 140.97 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -140.13 114.21 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.48 169.47 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -16.4 37.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -91.74 2.94 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.65 8.87 72.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -89.27 110.31 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 141.87 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.773 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 39.2 mp0 -114.69 142.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.74 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 93.43 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.871 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.8 p -104.05 149.19 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -144.99 127.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -78.01 135.09 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 71' ' ' ILE . 13.6 ptmt -141.85 175.24 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.76 120.29 41.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 36' ' ' LEU . 95.3 mt -90.58 154.02 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -175.84 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 112.372 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 54.81 27.84 9.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 62.29 51.79 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.526 ' HB3' HD11 ' A' ' 36' ' ' LEU . 43.6 m-70 -136.44 160.38 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' LYS . 87.6 mt -145.05 136.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.08 -167.01 11.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.3 tt -117.39 146.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 111.083 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -121.0 115.4 23.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -150.09 165.91 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 14.0 mt -113.64 106.7 53.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 131.93 22.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.304 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.638 ' C ' HD11 ' A' ' 29' ' ' LEU . 55.6 mmm-85 -96.87 -28.12 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' N ' HD11 ' A' ' 29' ' ' LEU . 25.3 mm-40 -126.9 -179.82 5.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 103' ' ' VAL . 5.5 m -123.7 147.66 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.52 -135.01 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.55 104.43 14.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -97.25 140.11 32.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.57 128.65 56.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.808 HG22 HG12 ' A' ' 51' ' ' ILE . 17.5 t -107.31 112.48 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -83.08 103.84 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.649 HD11 HG12 ' A' ' 85' ' ' VAL . 30.2 mm -109.33 126.35 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -141.88 171.07 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -125.7 105.66 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 62.34 26.26 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.18 16.74 34.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' HIS . 63.0 m-80 -130.87 102.56 6.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ASN . 7.7 m-70 -36.49 151.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 m -115.77 174.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 144.65 56.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 70.56 27.27 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 22.0 t -133.6 144.99 54.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.8 Cg_endo -69.75 156.11 92.91 Favored 'Cis proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.393 -0.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 37' ' ' LEU . 14.8 t -84.86 136.92 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 p -99.28 121.48 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.598 HD13 ' CD2' ' A' ' 35' ' ' PHE . 74.0 mt -125.71 143.11 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.1 tpt -103.97 121.19 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 80' ' ' VAL . 53.2 t -113.7 134.34 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.0 m -151.11 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 28' ' ' LYS . 27.4 t -138.55 156.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 27' ' ' VAL . 13.6 mmmm -91.49 120.6 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.817 HD13 HG13 ' A' ' 80' ' ' VAL . 8.4 tp -64.02 146.84 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.28 22.75 59.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.0 m -137.59 134.44 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 112.1 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.17 162.9 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 66' ' ' LEU . 12.8 t70 -97.99 157.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HG21 ' A' ' 101' ' ' ILE . 96.6 m-85 -139.62 124.03 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -97.16 111.94 23.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -121.55 128.15 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.66 97.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -126.99 132.52 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 m -84.42 44.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 mm-40 -137.45 126.45 24.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 33.0 p -97.56 -65.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 3.5 p30 -34.57 114.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.02 -58.86 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 p -47.32 -54.04 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -48.35 -34.54 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 41' ' ' GLU . 64.5 mt -90.57 168.53 11.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -129.75 153.69 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -125.22 123.63 39.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -148.61 138.64 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 60.2 mt -138.68 136.31 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.28 102.9 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.82 169.29 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_endo -69.76 -17.06 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.373 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.92 7.17 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.93 23.06 64.74 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.42 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -102.74 114.66 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.77 148.82 32.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.701 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 mm-40 -127.14 143.57 47.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.71 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.8 p -101.71 144.23 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -142.03 128.93 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.744 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 17.0 mt -85.04 137.75 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' ILE . 19.2 ptpt -146.4 164.56 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -89.67 127.06 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD21 ' OD2' ' A' ' 34' ' ' ASP . 59.8 mt -96.99 155.05 37.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.621 0.724 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 164.06 36.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 40.3 t30 73.69 28.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 m120 61.31 41.51 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 15.6 m-70 -127.76 165.55 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 64' ' ' LYS . 19.8 mt -141.34 141.29 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.68 174.5 26.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 35' ' ' PHE . 10.3 tt -107.14 155.7 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -132.87 119.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 51' ' ' ILE . 20.7 p90 -155.51 154.37 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 70.4 mt -97.61 102.81 14.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 Cg_endo -69.75 96.45 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -33.9 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.706 ' CA ' HD11 ' A' ' 29' ' ' LEU . 15.0 tt0 -122.08 174.19 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 HD13 ' A' ' 29' ' ' LEU . 27.9 m -117.13 162.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.95 -133.34 7.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.67 101.43 10.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -93.57 125.85 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -100.86 114.69 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.746 HG12 HD11 ' A' ' 87' ' ' ILE . 10.2 t -93.07 115.46 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 m -87.12 107.17 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.746 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -115.19 114.77 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -131.85 171.91 12.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -125.21 106.51 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 60.74 27.08 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.57 17.09 34.6 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' HIS . 27.7 m-80 -130.77 101.97 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.7 m-70 -37.44 146.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 87' ' ' ILE . 34.0 m -108.46 -177.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.09 146.02 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 99' ' ' VAL . 40.6 m-80 65.21 29.18 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.4 t -133.91 144.89 53.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 154.21 93.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.357 0.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.9 t -88.41 120.62 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -86.53 130.65 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 35' ' ' PHE . 51.5 mt -130.45 141.07 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -103.6 126.24 50.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 80' ' ' VAL . 95.9 t -119.76 143.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -154.43 149.3 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.461 ' OE1' HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.764 0.316 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 2.6 t -140.84 159.81 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -92.69 114.71 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.968 HD11 ' C ' ' A' ' 78' ' ' ARG . 14.7 tp -72.24 114.01 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.7 4.97 39.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 118.21 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' CG1' ' A' ' 27' ' ' VAL . . . -123.38 135.23 54.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.04 148.33 25.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 38.1 m-85 -129.04 125.14 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.83 112.32 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -120.61 133.66 55.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.42 102.19 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -128.77 166.81 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m -111.39 30.05 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' CB ' HD11 ' A' ' 47' ' ' LEU . 6.3 mm-40 -122.0 122.98 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.8 t -90.04 -47.36 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 42' ' ' THR . 3.4 t70 -49.01 170.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.644 HD21 ' C ' ' A' ' 64' ' ' LYS . 2.6 mp -134.7 -43.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.9 p -72.29 -36.3 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -71.71 -8.58 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 41' ' ' GLU . 90.2 mt -103.76 170.45 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -121.45 149.25 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.562 ' HB2' ' CG ' ' A' ' 63' ' ' LEU . . . -138.32 117.0 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 m -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 61' ' ' CYS . 90.1 mt -131.85 138.84 51.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.1 tppt? -140.14 125.33 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -66.21 167.16 13.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.77 -11.47 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.742 2.295 . . . . 0.0 112.288 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 m -98.68 9.76 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.69 25.2 65.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 mmm180 -107.42 112.56 25.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.36 153.62 43.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.44 144.33 52.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 96.88 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.391 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.872 ' HB2' HD11 ' A' ' 73' ' ' ILE . 20.7 p -98.41 141.32 31.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -136.18 119.96 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.562 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 78.6 mt -78.73 143.46 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' C ' HD21 ' A' ' 44' ' ' LEU . 13.4 ptmt -147.77 176.16 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -110.25 117.91 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.89 154.27 49.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 50.68 29.9 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 59.39 45.91 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -127.75 164.32 22.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 37' ' ' LEU . 77.8 mt -141.22 146.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.8 167.87 34.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.3 tt -101.04 154.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 t -129.44 114.21 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -149.92 161.81 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.4 mt -106.65 100.92 33.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.85 139.46 39.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.968 ' C ' HD11 ' A' ' 29' ' ' LEU . 15.5 mmm180 -111.44 -29.93 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.563 ' N ' HD11 ' A' ' 29' ' ' LEU . 17.8 tp10 -111.52 152.83 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.824 HG11 ' HG3' ' A' ' 105' ' ' GLN . 32.7 m -105.64 134.16 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 -139.94 7.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.36 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -96.17 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -121.09 116.52 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 87' ' ' ILE . 12.4 t -95.35 112.57 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.429 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.1 m -87.68 104.97 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.925 HD11 HG12 ' A' ' 85' ' ' VAL . 13.0 mm -113.98 125.27 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 94' ' ' VAL . 17.9 mttt -137.86 177.38 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -131.44 104.0 6.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 61.31 30.31 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.25 42.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.78 104.93 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -39.34 144.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 88' ' ' LYS . 17.4 m -103.15 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.53 140.98 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.609 ' O ' HG22 ' A' ' 99' ' ' VAL . 21.4 m-80 68.67 29.57 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.5 t -131.58 143.15 47.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.74 151.8 91.7 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.343 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 96' ' ' ASN . 25.7 t -87.41 131.57 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.8 p -88.64 126.56 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 81.6 mt -127.51 143.64 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -108.62 124.63 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.66 125.21 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.21 156.14 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.824 ' HG3' HG11 ' A' ' 80' ' ' VAL . 74.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.6 t -123.61 161.88 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -94.7 136.89 34.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 78' ' ' ARG . 8.8 tp -87.08 121.72 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.48 -2.78 57.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -123.08 153.63 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 118.6 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -125.29 138.91 54.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.31 151.24 28.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' A' ' 27' ' ' VAL . 68.3 m-85 -131.29 118.24 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 70' ' ' HIS . 2.7 tp -85.53 122.04 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? -133.28 139.81 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.38 97.79 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pt -122.03 128.6 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 m -84.53 37.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -129.47 129.25 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 42' ' ' THR . 12.6 t -118.03 39.64 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 3.3 m-20 -130.75 69.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.9 mt -36.56 -59.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -50.83 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 18.9 m -48.01 -19.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.33 162.29 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 ' N ' ' A' ' 49' ' ' ALA . 6.4 m -121.72 166.24 14.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.527 ' N ' HG22 ' A' ' 48' ' ' THR . . . -138.02 116.22 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -145.35 133.57 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 61' ' ' CYS . 62.7 mt -136.23 145.23 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HE2' ' CA ' ' A' ' 56' ' ' GLY . 14.4 tptm -143.86 107.93 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.903 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.03 169.88 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.903 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.81 -18.51 36.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.627 2.218 . . . . 0.0 112.364 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.4 m -96.65 5.86 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.423 ' CA ' ' HE2' ' A' ' 52' ' ' LYS . . . 85.33 24.06 45.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -98.16 117.56 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.4 142.98 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 79.4 mt-10 -126.81 143.84 48.02 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 86.7 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.9 p -90.82 145.37 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.44 119.96 11.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 44' ' ' LEU . 15.1 mt -77.54 140.36 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.5 161.39 40.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -90.94 132.74 35.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -105.71 155.03 38.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.86 17.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER 69.3 31.09 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 59.44 32.7 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 5.7 m-70 -116.46 164.72 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 70' ' ' HIS . 55.3 mt -144.28 140.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.38 165.99 30.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.49 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 61' ' ' CYS . 9.8 tt -99.35 157.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -130.56 118.21 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 10.7 p90 -153.35 156.09 37.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 48.5 mt -99.94 100.26 10.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 29' ' ' LEU . 1.7 mpt_? -89.91 -35.63 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.5 tp10 -112.07 153.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 103' ' ' VAL . 27.1 m -104.17 143.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.2 -134.93 5.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -107.65 106.6 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.598 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 9.8 m80 -98.84 143.36 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 mt -112.48 115.01 27.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 87' ' ' ILE . 12.1 t -94.09 118.54 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -88.78 107.09 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.524 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -115.02 118.54 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -136.53 173.17 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -127.72 106.66 9.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 60.77 27.34 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.14 18.43 33.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' HIS . 32.2 m-20 -131.02 99.62 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.759 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 5.7 m-70 -35.92 144.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 87' ' ' ILE . 20.0 m -108.3 176.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.96 149.45 47.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 37.2 m-80 61.51 29.66 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.2 t -132.7 141.31 40.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.76 158.16 91.29 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 26.3 t -89.58 131.09 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.7 p -89.54 117.54 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.504 ' CG2' ' CE1' ' A' ' 35' ' ' PHE . 68.3 mt -116.89 145.53 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 tpt -113.73 119.97 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 80' ' ' VAL . 58.5 t -112.0 143.78 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -155.71 144.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.546 HE22 HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.73 156.11 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -90.34 117.36 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' ARG . 11.5 tp -71.88 136.61 47.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.93 18.69 78.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.409 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -147.93 135.08 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.29 128.64 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.0 127.76 34.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.75 156.58 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 97.0 m-85 -138.8 117.51 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.25 115.49 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 71' ' ' ILE . 1.2 pt? -126.66 142.57 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.55 100.96 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.6 pt -126.65 142.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.47 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 4.0 m -85.35 27.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 6.8 mp0 -125.86 120.45 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 5.6 t -100.66 -28.01 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.33 105.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.11 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -46.47 -51.37 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -48.67 -38.51 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.631 ' CD2' HG11 ' A' ' 94' ' ' VAL . 63.0 mt -88.52 157.6 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.61 148.56 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.51 122.95 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -152.24 139.43 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 ' HB3' ' A' ' 61' ' ' CYS . 78.2 mt -139.82 142.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -141.49 105.34 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.73 169.33 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.72 -18.88 36.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 m -97.79 9.45 42.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.65 17.62 67.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 5.0 mmm180 -90.08 114.09 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.5 137.48 46.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 86.7 mt-10 -121.94 143.61 39.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 92.72 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.609 ' HB3' HD12 ' A' ' 51' ' ' ILE . 17.6 p -100.74 144.05 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -142.9 123.62 14.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 mt -83.49 135.78 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -141.75 160.65 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -84.53 133.81 34.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -105.94 154.59 39.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.76 29.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.25 28.66 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.49 47.23 8.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.402 ' C ' HG13 ' A' ' 71' ' ' ILE . 9.0 m-70 -133.51 165.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.5 mt -143.32 143.8 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.17 167.11 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.446 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.501 HD13 HG11 ' A' ' 85' ' ' VAL . 7.3 tt -97.77 149.08 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -125.7 114.43 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 9.5 p90 -150.95 167.93 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.7 mt -112.28 101.75 52.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.544 0.688 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.1 Cg_endo -69.66 133.55 26.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.615 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.3 -33.6 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 3.6 tp10 -114.23 151.83 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG11 ' CG ' ' A' ' 105' ' ' GLN . 33.1 m -101.01 141.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.59 -140.83 8.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -102.03 105.89 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 8.2 m80 -98.45 140.33 32.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 98' ' ' PRO . 22.4 mt -116.0 114.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 HG12 ' A' ' 51' ' ' ILE . 16.9 t -92.64 117.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.0 m -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 94' ' ' VAL . 26.9 mm -117.26 110.53 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.96 170.8 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -123.56 106.41 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 61.27 26.93 16.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.28 39.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.0 m-80 -129.79 100.12 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.9 m-70 -34.5 137.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG11 ' CD2' ' A' ' 47' ' ' LEU . 20.2 m -100.4 178.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.98 146.76 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 62.32 28.71 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.551 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.9 t -129.86 141.84 43.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.73 154.48 93.22 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.358 -0.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 t -78.09 127.38 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 p -91.54 116.26 28.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.75 150.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.7 tpt -113.2 116.77 30.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -102.77 131.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 151.19 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' HG11 ' A' ' 80' ' ' VAL . 40.6 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 28' ' ' LYS . 18.1 t -118.06 157.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 27' ' ' VAL . 37.9 mmtm -92.92 98.68 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.552 HD22 HG13 ' A' ' 80' ' ' VAL . 13.3 tp -55.25 139.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.58 26.97 73.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -153.84 119.73 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.55 129.7 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.8 136.75 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.8 147.44 24.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 93.4 m-85 -127.24 148.06 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -113.79 103.15 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -105.6 140.02 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.72 103.48 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.4 pt -134.15 147.24 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 m -92.7 34.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -127.53 120.26 27.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 p -86.8 -49.35 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -39.84 153.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.8 mt -116.96 -52.77 2.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -65.91 -41.58 91.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -59.17 -22.37 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.65 161.08 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 m -117.72 151.71 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -126.36 125.63 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -151.55 138.59 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 HG13 ' A' ' 85' ' ' VAL . 54.8 mt -141.13 138.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -138.07 121.35 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -61.3 165.86 6.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.4 Cg_endo -69.75 -11.28 30.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -99.37 9.34 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.88 25.3 64.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -106.72 109.15 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.68 157.33 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -138.63 142.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.89 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.867 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.8 p -113.65 147.53 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -133.08 143.67 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 16.2 mt -97.32 125.52 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' ILE . 9.2 ptmt -131.09 176.14 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -109.16 116.95 32.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 82.0 mt -86.92 152.51 53.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.63 27.35 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 63.37 48.18 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m-70 -132.47 159.02 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 64' ' ' LYS . 54.4 mt -145.01 138.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.23 -167.73 12.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 61' ' ' CYS . 8.6 tt -110.69 164.17 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 p -136.4 109.88 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 16.9 p90 -150.63 173.15 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 15.3 mt -120.53 102.29 45.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.89 121.43 8.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -90.29 -24.43 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' HD11 ' A' ' 29' ' ' LEU . 21.6 mt-10 -118.99 165.68 13.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 103' ' ' VAL . 31.2 m -114.67 138.37 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.92 -136.41 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -105.63 99.31 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -89.68 125.07 35.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.86 118.53 31.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.6 HG12 HD11 ' A' ' 87' ' ' ILE . 11.8 t -98.6 114.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -84.84 106.96 16.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.6 HD11 HG12 ' A' ' 85' ' ' VAL . 8.3 mm -116.1 118.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 19.1 mttt -134.3 171.04 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -125.47 104.42 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 62.24 28.63 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.37 17.29 40.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -130.21 103.35 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 88' ' ' LYS . 17.3 m-70 -38.85 146.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' ILE . 28.4 m -111.07 176.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.51 56.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.8 m-80 67.88 29.18 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 48.4 t -133.65 142.64 44.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.8 146.43 82.24 Favored 'Cis proline' 0 C--N 1.341 0.134 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.274 0.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 96' ' ' ASN . 12.9 t -82.63 117.73 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -85.46 129.88 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.78 148.17 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 tpt -104.17 124.31 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 80' ' ' VAL . 58.4 t -116.84 130.76 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.78 146.4 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -129.39 154.96 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.35 127.65 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD11 ' N ' ' A' ' 79' ' ' GLU . 10.0 tp -73.2 147.67 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.07 18.63 57.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.449 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 m -141.81 119.1 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.22 124.66 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.39 153.76 47.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 101' ' ' ILE . 26.5 m-85 -133.28 123.71 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 66' ' ' LEU . 5.1 tp -91.54 108.84 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -120.14 136.37 54.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.38 96.96 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -125.17 130.06 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.0 m -80.95 44.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.8 mp0 -137.74 115.03 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -88.11 -63.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.6 m-20 -38.72 103.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.47 -57.87 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.0 m -50.41 -41.92 52.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.7 m -57.78 -29.1 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 94' ' ' VAL . 97.1 mt -93.5 173.61 7.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -124.26 154.62 39.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.05 119.91 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -151.87 137.95 18.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 85' ' ' VAL . 70.7 mt -140.98 142.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.5 tppt? -140.44 131.96 27.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.858 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -73.39 168.87 21.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.708 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.858 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.85 -13.72 34.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -98.22 11.08 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 75.48 25.16 68.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -105.56 108.86 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 146.27 54.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -126.97 143.81 48.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.74 0.781 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 111.43 2.81 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.614 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.5 p -112.49 151.93 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -144.98 128.73 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 mt -95.09 136.08 35.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' ILE . 22.4 pttt -144.66 166.85 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 114.66 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HD12 ' A' ' 36' ' ' LEU . 16.9 mt -69.75 151.35 96.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.3 9.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.617 2.211 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.523 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 17.1 m120 -74.78 59.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 68' ' ' ASN . 7.5 m120 33.24 47.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 34.0 m-70 -147.01 179.56 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 64' ' ' LYS . 47.3 mt -146.89 127.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.82 -164.82 11.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.456 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 61' ' ' CYS . 5.8 tt -120.59 157.34 23.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.3 t -133.26 109.88 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 8.6 p90 -146.6 159.99 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 59.1 mt -105.85 105.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 126.99 13.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -97.82 -5.12 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.624 ' N ' HD11 ' A' ' 29' ' ' LEU . 37.4 mt-10 -145.12 165.95 26.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 105' ' ' GLN . 28.1 m -114.01 138.53 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.45 -134.95 5.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.81 104.88 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -96.36 131.97 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.6 118.32 36.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 87' ' ' ILE . 38.5 t -98.71 117.27 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 m -85.52 109.95 18.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.742 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -119.33 112.57 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -128.17 172.27 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -127.39 105.83 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 62.88 25.56 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.05 16.02 36.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 20.3 m-80 -130.88 102.66 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -34.48 144.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 47' ' ' LEU . 25.6 m -105.43 178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.57 147.58 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.409 ' O ' HG22 ' A' ' 99' ' ' VAL . 65.5 m-80 63.04 27.94 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.1 t -129.83 144.03 51.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.815 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.3 Cg_endo -69.77 153.02 92.84 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.6 t -85.44 121.26 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.9 m -88.44 122.59 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.605 HG21 ' CE2' ' A' ' 35' ' ' PHE . 46.4 mt -124.41 141.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.6 tpp -99.46 120.37 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.62 138.01 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.05 161.55 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG2' HG11 ' A' ' 80' ' ' VAL . 6.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.836 0.35 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.6 t -134.68 160.3 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -93.97 118.68 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.9 126.62 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.64 9.36 61.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -135.13 162.54 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.98 110.0 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . . . -111.61 148.51 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -96.05 145.27 25.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 85.8 m-85 -120.9 113.54 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.24 111.93 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.2 133.3 48.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.94 101.93 13.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 41' ' ' GLU . 5.7 pt -129.89 137.89 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -78.31 46.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.2 mt-10 -132.5 121.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 62.9 m -99.44 -72.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -36.15 108.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 65' ' ' ARG . 4.3 mp -73.84 -59.72 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 p -47.04 -42.03 17.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -57.96 -33.51 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 41' ' ' GLU . 67.1 mt -89.03 165.92 14.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.39 152.26 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.13 117.36 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -152.64 141.69 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG12 HG13 ' A' ' 85' ' ' VAL . 64.1 mt -145.46 136.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -137.14 129.67 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.824 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -70.82 168.45 20.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.824 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.8 -13.36 34.45 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -98.43 11.39 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 74.4 24.66 72.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.78 109.25 20.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 150.74 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -130.44 144.52 53.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.83 3.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -119.53 140.2 50.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -138.78 122.29 17.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.5 mt -82.33 133.46 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -145.05 158.28 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HD3' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -85.1 134.29 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.01 154.73 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.04 36.04 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.674 2.249 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.5 m-20 72.95 33.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 55.79 41.3 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 7.1 m-70 -127.03 168.36 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.2 mt -143.49 148.58 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.82 162.75 31.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 61' ' ' CYS . 10.8 tt -104.46 152.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -126.79 126.58 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 19.3 p90 -158.5 153.67 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.94 105.35 41.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.63 6.55 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.267 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.05 -31.52 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -115.91 178.87 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 103' ' ' VAL . 23.2 m -125.11 141.38 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.54 -138.89 7.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -103.21 99.63 9.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -89.77 142.02 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.0 116.55 28.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.994 HG12 HD11 ' A' ' 87' ' ' ILE . 19.8 t -92.94 112.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.681 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -81.49 109.8 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.994 HD11 HG12 ' A' ' 85' ' ' VAL . 12.1 mm -122.67 114.96 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -129.52 174.89 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -128.44 106.46 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 60.88 26.0 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.94 15.55 38.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' HIS . 14.0 m-80 -130.53 102.43 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ASN . 20.1 m-70 -34.62 143.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.7 m -103.32 -177.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 145.42 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 65.35 25.01 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.563 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 18.1 t -127.68 145.14 53.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 97' ' ' SER . 52.8 Cg_endo -69.84 147.93 85.83 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.331 0.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.07 129.7 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 p -90.73 122.83 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 35' ' ' PHE . 97.9 mt -125.81 146.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.0 tpt -108.87 127.13 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 80' ' ' VAL . 44.4 t -120.2 141.02 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 m -154.21 156.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -115.44 118.32 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -117.62 155.45 29.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 -99.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -75.28 79.5 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p 37.99 53.41 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.6 123.15 5.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.403 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.569 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -73.13 142.14 82.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.65 127.13 14.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.65 -119.46 4.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -174.79 143.81 0.83 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.729 0.776 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -173.29 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.702 2.268 . . . . 0.0 112.241 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -75.96 -55.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -70.25 150.24 46.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.4 123.63 31.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -129.05 18.8 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.3 pt -41.19 143.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.61 43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -168.13 115.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.64 165.02 25.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -86.9 35.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -44.9 169.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -84.48 42.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.5 m -140.35 162.26 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -87.39 153.13 21.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.62 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.2 tt0 -123.8 129.5 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 28' ' ' LYS . 45.6 t -130.12 159.32 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' N ' HG12 ' A' ' 27' ' ' VAL . 42.8 mmtm -90.48 106.08 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 78' ' ' ARG . 9.5 tp -66.92 134.07 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.5 16.25 66.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -148.95 127.93 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.72 111.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.98 135.34 54.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.26 151.29 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 98.6 m-85 -131.25 123.43 28.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 66' ' ' LEU . 4.5 tp -92.43 108.0 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.0 pt? -120.36 140.2 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -83.55 98.19 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -122.84 139.01 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.478 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 42.3 m -83.53 37.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' CD ' ' C ' ' A' ' 40' ' ' SER . 8.8 mp0 -131.18 118.17 20.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 m -87.63 -61.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -38.49 122.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 65' ' ' ARG . 1.7 mt -87.93 -62.68 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -52.7 -46.02 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -53.44 -17.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.533 HD22 HG11 ' A' ' 94' ' ' VAL . 87.4 mt -101.75 162.89 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -113.24 153.62 28.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -127.23 116.77 21.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -149.0 141.5 24.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.54 HG12 HG13 ' A' ' 85' ' ' VAL . 14.8 mt -141.9 149.07 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.104 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.0 tptt -145.22 106.37 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.64 169.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.77 -19.83 35.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 m -94.58 5.04 53.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 82.86 25.13 50.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -102.64 110.32 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.44 148.82 22.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -133.88 143.97 49.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 106.6 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.232 . . . . 0.0 112.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.739 ' HB2' HD11 ' A' ' 73' ' ' ILE . 26.8 p -110.7 144.52 39.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.64 122.15 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -89.14 133.56 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HE3' ' CB ' ' A' ' 74' ' ' SER . 5.3 ptpt -137.67 161.48 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.11 118.05 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 36' ' ' LEU . 85.2 mt -89.46 153.77 48.39 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.8 30.36 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 59.38 52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -136.99 160.89 37.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.92 134.0 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.34 27.29 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.9 tt -99.65 156.27 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.473 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t -136.26 110.26 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.7 p90 -136.25 163.3 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.1 mt -104.39 93.22 5.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.2 Cg_endo -69.82 129.57 17.75 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.605 ' O ' HD21 ' A' ' 29' ' ' LEU . 17.5 mmm180 -99.26 -34.81 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 8.3 tp10 -106.99 154.68 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 105' ' ' GLN . 30.7 m -105.59 140.79 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.31 -140.56 9.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.564 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -100.21 104.25 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.597 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 6.9 m80 -94.66 144.76 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.4 mt -115.44 117.25 29.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.695 HG12 HD11 ' A' ' 87' ' ' ILE . 14.8 t -97.91 119.62 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.55 103.94 16.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 HG12 ' A' ' 85' ' ' VAL . 16.6 mm -112.67 113.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -131.12 171.18 13.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -124.45 106.6 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.99 29.55 19.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.09 18.49 39.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 93' ' ' HIS . 37.5 m-80 -130.76 102.59 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' ASN . 12.8 m-70 -37.97 141.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 87' ' ' ILE . 18.7 m -103.77 178.7 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.67 143.32 54.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 68.77 25.73 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.565 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 19.6 t -126.73 145.06 52.09 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.673 0.749 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.565 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.4 Cg_endo -69.78 144.37 76.49 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.338 -0.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.23 126.6 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.3 p -88.88 135.57 33.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.4 mt -137.85 142.73 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.5 tpt -101.78 123.72 46.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.59 128.01 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 26' ' ' GLN . 25.9 m -137.11 145.2 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.596 ' HG3' HG11 ' A' ' 80' ' ' VAL . 68.2 mt-30 -70.31 127.69 33.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -71.46 -53.01 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -127.44 146.03 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 34.5 mt -75.41 99.31 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.6 134.54 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -87.23 95.66 10.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.3 t 61.26 42.72 11.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.67 -172.74 54.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 103.74 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.8 p -161.96 139.65 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.7 m -50.02 174.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -87.46 140.87 29.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -98.98 154.46 18.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.92 121.48 13.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -43.54 138.08 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -133.72 168.7 18.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.24 56.28 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -76.14 147.33 79.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.513 0.673 . . . . 0.0 111.205 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 149.41 66.49 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.89 176.1 48.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -87.92 143.91 34.01 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' THR . 53.0 Cg_endo -69.75 -5.25 15.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.19 85.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' PRO . 38.5 p -92.33 132.4 36.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.0 146.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -69.96 -51.42 32.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 pt -48.53 170.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -132.49 103.8 6.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.61 -44.12 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.35 87.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 t -64.9 78.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -124.58 166.65 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -105.92 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p -74.85 146.25 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 m -73.73 137.47 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -103.88 124.15 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.2 149.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -89.84 103.06 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 78' ' ' ARG . 12.5 tp -60.19 140.04 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.99 19.99 79.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 m -148.12 137.7 22.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 111.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.6 136.97 52.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.93 151.29 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 101' ' ' ILE . 97.5 m-85 -133.7 125.22 28.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tp -92.57 111.63 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -121.33 129.98 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.1 t70 -78.19 99.76 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 pt -131.14 138.24 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.435 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 67.8 p -85.82 29.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 3.3 mp0 -120.45 115.99 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -115.04 38.83 3.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 44' ' ' LEU . 13.3 m-20 -127.13 72.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 43' ' ' ASP . 4.6 mp -36.67 -69.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 m -42.1 -64.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.4 m -47.13 -29.55 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 41' ' ' GLU . 27.1 mt -95.93 156.9 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -118.25 155.54 30.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -128.55 122.1 30.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -145.4 142.0 28.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.623 HG12 HG22 ' A' ' 85' ' ' VAL . 67.3 mt -143.46 128.21 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -128.09 103.75 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.33 168.45 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.645 0.736 . . . . 0.0 111.042 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.849 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.0 Cg_endo -69.68 -18.34 37.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -96.07 5.63 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.46 53.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtp85 -101.66 118.54 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.78 150.88 48.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -130.15 141.86 43.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.704 0.764 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 91.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.86 ' HB2' HD11 ' A' ' 73' ' ' ILE . 11.3 p -96.43 137.48 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.09 117.42 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -77.81 133.16 38.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -143.53 155.9 44.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -82.85 136.84 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 34.0 mt -106.25 155.49 38.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.726 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.44 21.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 66.43 30.8 8.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 58.8 50.02 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 11.0 m-70 -134.43 166.57 22.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 72' ' ' GLY . 55.0 mt -143.95 153.05 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -160.1 175.61 36.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.439 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.4 tt -109.72 146.22 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -126.68 118.76 25.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 7.3 p90 -151.28 158.52 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mt -102.42 97.6 9.13 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 123.07 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.413 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -85.95 -28.24 24.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -121.62 170.32 9.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 103' ' ' VAL . 26.9 m -118.67 143.12 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 150.7 -144.65 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -100.58 99.31 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -92.13 143.47 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.5 mt -114.38 114.3 25.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 HG12 ' A' ' 51' ' ' ILE . 17.3 t -93.19 112.62 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 110.09 16.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mm -120.76 115.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 25.9 mttt -133.86 172.26 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -128.92 109.67 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' N ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 m120 61.3 27.13 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.42 16.56 45.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' HIS . 44.7 m-80 -130.83 103.55 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' ASN . 21.1 m-70 -36.39 143.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 47' ' ' LEU . 17.0 m -104.28 -176.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.93 147.12 49.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 38' ' ' ASP . 76.7 m-20 62.08 29.85 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 38.1 t -131.66 143.33 48.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.78 150.85 90.87 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.304 0.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.86 118.25 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.9 p -82.68 124.67 30.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 35' ' ' PHE . 77.3 mt -126.84 139.01 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.4 tpt -104.99 117.4 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.748 HG12 HG12 ' A' ' 80' ' ' VAL . 60.5 t -105.62 135.53 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.24 161.04 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HG3' HG11 ' A' ' 80' ' ' VAL . 67.5 mt-30 -90.06 118.71 29.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 t -39.54 120.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' ILE . 21.2 tt0 -64.18 106.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 mt 34.05 45.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.66 -160.63 39.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.529 ' OD1' HD11 ' A' ' 8' ' ' ILE . 1.4 m-20 -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.8 p -39.52 134.11 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 142.61 7.05 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 -46.67 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.394 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -154.84 161.8 41.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.6 t -102.91 90.0 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -63.99 -45.46 88.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -77.73 161.66 27.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.27 -173.99 40.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -106.45 164.45 12.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.848 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -163.67 143.95 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.45 153.1 24.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.441 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.4 pt -45.73 149.4 1.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 178.04 4.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.51 -138.44 2.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -127.43 143.59 47.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -18.88 37.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.617 2.211 . . . . 0.0 112.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -110.7 104.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.9 m -135.39 108.16 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 156.37 38.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -95.79 164.4 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 mt -116.92 127.74 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -51.72 146.68 7.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -162.92 165.42 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -100.97 160.03 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -91.06 28.84 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -89.18 -56.39 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -93.55 168.4 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -61.21 139.69 58.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -88.67 136.41 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -99.37 122.06 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.23 148.67 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -83.18 104.01 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 79' ' ' GLU . 12.0 tp -58.63 121.38 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.56 17.87 47.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.8 m -144.75 121.29 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.42 115.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.54 135.45 55.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -74.95 154.1 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 57.8 m-85 -137.83 122.74 18.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 66' ' ' LEU . 12.3 tp -89.47 116.54 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.9 pt? -125.01 145.0 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.14 96.7 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 41' ' ' GLU . 3.3 pt -118.82 126.09 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 m -63.13 -10.57 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 39' ' ' ILE . 13.2 mm-40 -104.29 125.47 50.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 p -89.34 -61.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.8 106.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.5 mp -73.31 -47.62 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.4 m -43.98 -59.38 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 m -53.7 -22.98 10.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 94' ' ' VAL . 89.1 mt -97.68 161.78 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -109.36 157.73 18.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -133.96 123.24 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -148.5 139.44 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 HG12 HG22 ' A' ' 85' ' ' VAL . 57.3 mt -145.43 138.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -147.97 121.99 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.812 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -48.39 167.64 0.19 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.812 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.68 -15.38 37.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -87.78 -1.6 58.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.35 19.82 40.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -102.6 114.53 28.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -60.84 163.37 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 58' ' ' ASP . 10.9 mm-40 -141.3 141.07 22.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 93.11 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 73' ' ' ILE . 28.5 p -105.55 147.78 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 62' ' ' LEU . 1.1 tm? -143.8 122.31 12.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.4 mt -79.97 127.19 31.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' ILE . 4.1 ptmt -144.0 176.88 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 71' ' ' ILE . 5.7 tpt180 -93.42 143.48 26.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.579 ' CD1' HD12 ' A' ' 36' ' ' LEU . 89.0 mt -97.22 152.43 38.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.569 0.7 . . . . 0.0 110.944 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.298 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 4.3 m120 -74.89 59.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASN . 10.9 t-20 34.16 42.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 31.7 m-70 -143.78 -174.99 4.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.766 HD11 HH11 ' A' ' 65' ' ' ARG . 35.0 mt -143.68 137.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' HG ' ' A' ' 66' ' ' LEU . . . -146.63 -175.22 19.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.4 tt -111.44 151.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.78 109.28 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -142.19 164.18 30.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 45.5 mt -110.7 105.87 57.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 55.0 Cg_endo -69.65 128.89 16.78 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.46 -7.59 22.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.6 mm-40 -140.32 177.97 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 103' ' ' VAL . 18.0 m -125.25 140.66 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.26 -137.38 6.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -107.91 102.37 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -90.29 143.15 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.41 120.64 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 87' ' ' ILE . 17.8 t -99.67 125.74 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -90.52 107.28 19.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 85' ' ' VAL . 16.7 mm -118.42 109.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 11.9 mttt -130.16 172.43 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -125.21 106.08 9.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 61.42 28.82 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.8 15.64 45.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' HIS . 68.5 m-80 -129.35 101.46 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 25.5 m-70 -35.22 145.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 47' ' ' LEU . 18.8 m -107.76 -176.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.74 146.81 51.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 62.31 30.15 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 37.3 t -132.48 142.23 44.15 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.704 0.764 . . . . 0.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.83 161.04 87.19 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.621 -1.825 . . . . 0.0 112.402 -0.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.3 138.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -102.62 110.72 22.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.6 mt -110.77 146.67 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.5 tpt -110.55 117.19 32.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.585 HG12 HG12 ' A' ' 80' ' ' VAL . 59.7 t -108.8 140.87 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.3 m -150.7 144.91 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.17 98.15 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.3 m -52.73 -64.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 68.91 39.69 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.0 mm -117.24 119.96 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -149.42 116.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.45 101.12 11.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.3 p -71.08 102.01 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.82 74.39 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.86 12.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.292 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -102.84 80.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.2 t -78.15 121.3 24.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.31 127.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -69.32 117.27 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 64.08 0.22 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -160.96 169.11 23.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -91.69 3.87 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.55 55.52 24.62 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.557 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 pt -71.94 148.03 91.7 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.47 -132.54 3.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -134.04 141.73 40.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.76 2.307 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -113.6 -51.94 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.6 p -82.6 139.87 33.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.97 97.34 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -40.22 109.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD11 ' OD2' ' A' ' 20' ' ' ASP . 12.0 pt -62.35 -22.75 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.05 43.94 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -114.91 -53.54 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -58.12 -55.41 35.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.5 p 52.94 26.93 5.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -71.21 179.43 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 24' ' ' CYS . 4.8 tmm_? -80.14 134.5 36.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 21.3 p -160.03 136.78 9.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.3 m -120.44 128.98 53.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -94.42 115.94 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.29 153.24 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -92.67 137.43 32.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 79' ' ' GLU . 8.1 tp -79.49 140.97 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.71 76.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.545 ' N ' HG23 ' A' ' 76' ' ' ILE . 66.2 m -137.3 135.52 37.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.14 107.59 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.93 140.0 49.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.97 158.3 25.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 75' ' ' PHE . 94.1 m-85 -136.41 123.12 21.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -93.35 104.78 16.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -115.79 141.9 47.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -90.98 101.39 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 pt -128.23 137.11 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -84.24 34.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.7 mm-40 -130.17 118.81 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 43' ' ' ASP . 6.6 t -93.06 -44.46 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 42' ' ' THR . 8.2 t0 -51.72 113.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 42' ' ' THR . 2.9 mp -78.97 -60.56 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -46.81 -50.54 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -52.8 -34.24 52.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 94' ' ' VAL . 96.3 mt -87.45 160.93 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 49' ' ' ALA . 11.1 m -114.16 157.0 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' HG22 ' A' ' 48' ' ' THR . . . -130.4 119.45 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -152.16 138.37 18.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 85' ' ' VAL . 20.0 mt -137.93 132.89 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -134.37 103.1 5.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.84 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.278 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 t -96.72 9.02 42.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.05 62.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.403 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -100.14 115.47 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 155.09 34.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -139.02 143.69 38.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 101.01 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.75 ' HB2' HD11 ' A' ' 73' ' ' ILE . 12.9 p -108.2 145.08 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.66 128.16 19.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.7 mt -92.42 132.15 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 71' ' ' ILE . 10.1 ptpt -142.09 170.26 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -95.55 129.15 42.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 70.7 mt -100.02 153.85 37.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 176.68 6.51 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 0.0 112.407 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m120 61.24 28.36 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.8 47.95 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' C ' ' HB2' ' A' ' 66' ' ' LEU . 8.6 m-70 -133.28 167.49 20.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' LYS . 48.7 mt -144.04 144.67 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.14 164.82 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.2 tt -104.69 153.51 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 m -124.7 124.82 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE2' ' CE2' ' A' ' 35' ' ' PHE . 12.8 p90 -159.28 161.25 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 HG23 ' N ' ' A' ' 31' ' ' SER . 28.6 mt -108.77 109.14 61.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.81 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.736 2.29 . . . . 0.0 112.319 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -89.73 -18.76 25.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.3 mp0 -132.36 164.14 27.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 105' ' ' GLN . 22.7 m -108.95 138.85 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.0 -146.13 15.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -100.9 100.01 10.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -87.34 141.99 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 98' ' ' PRO . 19.1 mt -116.15 116.1 27.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 HD11 ' A' ' 87' ' ' ILE . 9.6 t -94.72 112.91 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -79.0 110.17 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HG12 ' A' ' 85' ' ' VAL . 20.4 mm -121.21 117.48 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 12.5 mttt -135.54 171.15 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -122.56 109.69 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.809 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 55.88 28.41 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.16 17.83 33.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 70.9 m-80 -130.49 99.08 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' N ' ' HB3' ' A' ' 88' ' ' LYS . 10.5 m-70 -35.55 141.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 HD22 ' A' ' 47' ' ' LEU . 18.0 m -101.34 -178.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.38 147.82 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 61.16 26.72 16.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 42.8 t -125.59 142.51 42.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 0.0 110.798 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.82 158.69 90.91 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.4 t -81.33 131.36 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -94.26 117.89 30.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.518 HG21 ' CE1' ' A' ' 35' ' ' PHE . 84.0 mt -121.25 145.01 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 tpt -108.6 120.35 42.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.9 t -115.59 133.98 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.15 136.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.1 pt20 -85.13 98.12 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.9 t -56.68 100.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.56 86.61 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.594 ' N ' HD13 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -51.01 -29.1 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.94 -137.78 5.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.494 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -101.08 169.63 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 t -115.58 -52.28 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.34 -164.16 13.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 114' ' ' SER . 52.6 Cg_endo -69.81 -42.04 3.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.28 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 113' ' ' PRO . 25.8 t -34.69 107.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m -99.81 157.12 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -87.3 174.43 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.807 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m 60.98 43.49 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 128.18 1.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -71.53 148.33 46.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -131.55 102.65 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.96 121.65 5.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.7 pt -56.6 144.3 65.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.65 9.23 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.744 2.296 . . . . 0.0 112.336 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.72 31.92 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.8 t 65.07 54.79 1.19 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.611 0.72 . . . . 0.0 110.788 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 11' ' ' SER . 54.9 Cg_endo -69.74 -40.94 4.75 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -156.59 146.36 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -109.78 90.55 3.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.81 117.53 16.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 152.5 40.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.4 mt -155.23 148.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.7 p -112.16 91.7 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -88.57 -62.38 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.46 -53.71 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.798 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t 71.14 29.48 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -86.09 -179.05 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 122.72 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -174.75 168.0 3.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -122.92 103.16 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.33 128.97 37.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 28' ' ' LYS . 38.2 t -140.17 156.89 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 27' ' ' VAL . 12.3 mmmm -88.03 115.86 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' C ' ' A' ' 78' ' ' ARG . 16.3 tp -68.82 131.3 44.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.85 51.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.423 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -152.67 127.85 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.16 112.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.17 144.11 46.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.9 151.03 26.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 75' ' ' PHE . 90.8 m-85 -132.23 112.65 12.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tp -83.98 123.13 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -136.58 136.01 38.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -83.82 99.88 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 41' ' ' GLU . 8.3 pt -133.19 136.07 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 m -81.71 44.28 0.81 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 47' ' ' LEU . 6.5 mt-10 -126.67 132.0 51.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 22.6 p -109.73 -69.57 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.127 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' O ' HD12 ' A' ' 47' ' ' LEU . 17.8 m-20 -35.37 123.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -88.16 -57.19 3.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.4 p -53.95 -48.0 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -54.46 -26.6 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 41' ' ' GLU . 23.7 mt -98.48 164.18 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.51 146.37 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -122.21 124.4 43.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -150.92 138.91 20.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 HG13 ' A' ' 85' ' ' VAL . 38.6 mt -137.12 134.12 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -134.24 103.05 5.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.45 169.37 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.865 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.75 -17.08 37.83 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -98.94 10.81 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.59 20.15 74.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -94.85 112.54 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.06 148.26 52.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' A' ' 75' ' ' PHE . 77.6 mt-10 -130.83 143.1 47.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 90.34 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.784 2.322 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' A' ' 73' ' ' ILE . 7.1 p -99.4 146.17 26.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -144.81 139.25 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 49.0 mt -93.26 132.94 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -144.91 154.95 43.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.577 HH11 HD11 ' A' ' 71' ' ' ILE . 9.6 tpt180 -86.68 132.07 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.8 mt -100.03 153.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.99 22.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 69.7 25.78 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 63.54 50.36 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' C ' HG13 ' A' ' 71' ' ' ILE . 8.0 m-70 -134.4 166.06 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.577 HD11 HH11 ' A' ' 65' ' ' ARG . 55.1 mt -144.99 144.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.49 174.95 32.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 61' ' ' CYS . 6.9 tt -109.84 148.3 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -122.37 120.67 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' CE1' ' OE1' ' A' ' 59' ' ' GLU . 9.2 p90 -154.44 152.48 30.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 35.2 mt -97.76 104.72 22.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.686 0.755 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 129.47 17.63 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' C ' HD11 ' A' ' 29' ' ' LEU . 1.5 mpt_? -99.3 -26.55 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' N ' HD11 ' A' ' 29' ' ' LEU . 12.9 tt0 -129.94 167.82 17.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 103' ' ' VAL . 33.8 m -112.22 144.5 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.09 -141.44 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -103.03 100.61 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -89.97 142.53 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.3 mt -116.29 114.8 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.538 HG13 HG12 ' A' ' 51' ' ' ILE . 4.8 t -95.42 120.71 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.587 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.4 m -87.3 111.52 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 86' ' ' SER . 19.9 mm -120.36 116.78 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -135.73 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -125.18 104.2 8.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 62.06 26.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.44 17.66 30.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 93' ' ' HIS . 67.8 m-80 -130.97 101.09 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -35.64 147.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.6 m -106.84 -176.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 145.28 45.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.015 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 64.68 28.62 13.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 27.8 t -126.98 144.51 50.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.0 Cg_endo -69.83 157.66 92.03 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.319 0.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 t -80.65 116.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.7 p -82.0 115.12 21.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.8 mt -120.44 141.75 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 tpt -109.96 119.72 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 80' ' ' VAL . 58.2 t -109.6 137.21 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.3 143.37 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.476 ' HG2' HG11 ' A' ' 80' ' ' VAL . 12.2 mt-30 -61.91 109.98 1.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 t -121.12 102.38 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -101.46 136.09 41.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mm -86.31 -57.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.94 -159.64 27.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.85 122.21 4.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.5 m 46.58 44.29 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.12 -158.0 34.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.65 9.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.6 m -101.47 86.65 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 57.3 p 42.49 42.83 2.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.514 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -152.09 156.3 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -60.2 -46.9 88.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.89 -140.6 3.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p -90.13 118.21 29.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -115.3 -59.21 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.56 123.84 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 pt -78.68 145.94 68.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 108.68 2.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.234 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.33 127.52 2.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 m -59.35 143.49 85.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -172.44 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' THR . 14.5 t80 -85.85 149.0 25.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' PHE . 25.3 m -33.97 -67.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.38 140.98 33.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -114.36 -31.22 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -63.68 143.29 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 19' ' ' ASP . 54.6 m -53.24 147.35 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' THR . 28.5 t0 -35.85 -63.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 22' ' ' ARG . 21.2 m-20 -99.38 174.44 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.25 41.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -95.4 177.89 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -128.51 145.18 51.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.0 p -154.6 126.73 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.8 m -76.95 126.75 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' A' ' 106' ' ' SER . 19.9 tt0 -75.51 116.81 16.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 35' ' ' PHE . 17.1 t -118.79 154.12 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.25 123.58 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.734 HD13 HG13 ' A' ' 80' ' ' VAL . 7.5 tp -66.23 131.37 45.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.42 24.01 66.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -144.45 121.65 11.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.78 117.34 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -126.1 152.73 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -91.26 148.81 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 96.2 m-85 -130.81 123.52 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 66' ' ' LEU . 5.1 tp -89.04 111.98 22.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 99' ' ' VAL . 2.0 pt? -118.33 133.51 55.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.23 100.52 7.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 41' ' ' GLU . 5.2 pt -129.74 120.67 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -63.48 -8.34 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.48 120.9 40.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.874 HG23 HD11 ' A' ' 71' ' ' ILE . 59.0 m -91.96 -59.63 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -34.89 109.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD21 ' CA ' ' A' ' 64' ' ' LYS . 5.4 mp -71.88 -58.28 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.4 m -43.12 -57.59 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -48.99 -32.38 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 41' ' ' GLU . 58.8 mt -97.89 161.23 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.53 HG22 ' N ' ' A' ' 49' ' ' ALA . 9.7 m -111.89 165.33 12.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.775 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -132.45 121.68 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -151.02 143.73 24.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.659 HG12 HG22 ' A' ' 85' ' ' VAL . 96.9 mt -142.75 137.94 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 24.2 tptt -132.57 105.23 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.889 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.76 169.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 111.078 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.889 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.7 Cg_endo -69.77 -17.56 37.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.47 5.73 50.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 22.56 59.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.87 113.32 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.58 159.63 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -141.76 143.36 28.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.69 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.325 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HB2' HD11 ' A' ' 73' ' ' ILE . 13.3 p -98.28 145.49 26.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 49' ' ' ALA . 6.7 mt -74.65 131.58 41.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CA ' HD21 ' A' ' 44' ' ' LEU . 10.4 ptmm? -142.14 170.46 15.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -91.37 143.4 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.682 HD12 HD12 ' A' ' 36' ' ' LEU . 20.8 mt -114.95 155.04 46.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.61 7.92 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.276 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 63.48 25.38 14.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 63.35 44.45 5.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.409 ' C ' HG13 ' A' ' 71' ' ' ILE . 6.6 m-70 -129.05 173.62 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.874 HD11 HG23 ' A' ' 42' ' ' THR . 58.4 mt -144.1 147.14 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.32 173.86 35.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.8 tt -107.58 158.19 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -130.62 112.64 13.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.583 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.0 p90 -147.59 158.18 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.5 mt -101.64 98.56 9.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.23 -23.36 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' C ' HD11 ' A' ' 29' ' ' LEU . 7.0 mp0 -123.11 172.99 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.734 HG13 HD13 ' A' ' 29' ' ' LEU . 7.8 m -118.97 153.3 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 138.62 -136.14 7.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -111.74 99.88 8.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -84.26 137.49 33.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.0 mt -106.87 114.37 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.752 HG12 HD11 ' A' ' 87' ' ' ILE . 16.6 t -93.96 117.34 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.47 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.3 m -86.65 107.04 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.752 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -116.38 115.47 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -131.69 172.78 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.91 104.66 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.33 26.25 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.45 16.99 37.97 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 93' ' ' HIS . 69.3 m-80 -130.23 100.4 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 92' ' ' ASN . 15.6 m-70 -34.47 141.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.677 HG11 HD22 ' A' ' 47' ' ' LEU . 34.8 m -101.72 -176.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 140.23 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 70.63 27.16 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.547 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.0 t -128.55 143.17 47.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.6 Cg_endo -69.73 156.92 92.48 Favored 'Cis proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.348 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 37' ' ' LEU . 41.0 t -88.62 122.57 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.9 m -80.8 129.98 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 102' ' ' MET . 89.5 mt -127.65 154.65 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.457 ' N ' HG22 ' A' ' 101' ' ' ILE . 9.3 tpt -119.34 125.68 49.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.603 HG12 HG12 ' A' ' 80' ' ' VAL . 48.8 t -118.87 133.96 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.8 151.27 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' HG3' HG11 ' A' ' 80' ' ' VAL . 16.0 mt-30 -82.98 83.11 7.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 65.2 p -70.98 105.41 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -116.79 104.48 11.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 mm -126.58 138.29 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 69.66 119.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -47.32 61.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.1 p -80.35 166.0 21.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.54 178.67 36.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.43 9.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.631 2.22 . . . . 0.0 112.385 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.2 t -69.12 132.04 45.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.9 p -112.93 -7.75 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -99.5 170.96 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.9 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 p -111.65 -45.24 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.89 162.04 14.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -108.79 150.29 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -106.02 122.77 46.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.64 88.63 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -48.01 149.45 2.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 111.133 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 113.4 3.35 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.45 -171.68 18.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -109.76 84.13 3.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 175.95 7.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -79.94 -52.36 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.6 m -105.82 144.67 32.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.08 179.71 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.69 110.34 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.7 mt -81.69 -24.25 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 18' ' ' THR . 11.4 t -103.31 127.51 50.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -113.2 153.56 28.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.68 -51.04 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 58.13 42.6 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -63.73 -60.07 3.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 13.5 ttp-105 -111.01 -59.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.73 129.65 56.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 m -77.8 116.04 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -73.99 121.81 21.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.68 153.25 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -93.49 113.79 26.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.5 tp -62.62 151.12 38.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.45 17.39 53.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -137.91 119.44 14.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.63 140.03 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.68 156.38 27.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 80.7 m-85 -140.52 118.36 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 70' ' ' HIS . 5.9 tp -93.39 115.96 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -123.53 141.3 52.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -87.02 97.23 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -123.98 131.18 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 44.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.586 ' HB3' HD11 ' A' ' 47' ' ' LEU . 78.1 mm-40 -133.36 118.18 18.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 t -109.56 34.86 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 5.3 m-20 -126.9 79.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.91 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -41.73 -57.19 2.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 50.3 m -44.7 -36.11 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 41' ' ' GLU . 56.8 mt -90.02 163.66 14.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.15 146.91 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -115.11 121.88 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -148.02 125.35 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.57 HG12 HG22 ' A' ' 85' ' ' VAL . 62.5 mt -130.01 145.3 35.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -150.43 115.43 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.835 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -45.44 168.65 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.143 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.835 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.79 -14.52 36.11 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.608 2.206 . . . . 0.0 112.383 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -89.31 -0.83 57.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.77 20.43 50.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -102.27 115.4 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.376 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.7 144.08 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -122.14 143.84 40.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 98.83 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.731 ' HB2' HD11 ' A' ' 73' ' ' ILE . 22.6 p -112.07 145.17 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -141.37 121.31 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 13.5 mt -80.83 137.65 36.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -145.35 159.7 42.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -89.63 118.06 28.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.811 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 95.1 mt -88.76 154.29 50.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 178.79 4.25 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.733 2.289 . . . . 0.0 112.278 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 59.48 30.48 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 59.29 48.97 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' HB3' HD11 ' A' ' 36' ' ' LEU . 9.9 m-70 -133.9 159.71 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 70.3 mt -145.08 136.51 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.75 -173.56 16.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 61' ' ' CYS . 17.1 tt -117.38 147.38 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -125.06 120.29 31.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.414 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 8.4 p90 -150.95 172.41 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 67.0 mt -118.13 100.46 51.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.69 132.4 23.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.758 2.305 . . . . 0.0 112.347 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.49 -2.73 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 29' ' ' LEU . 56.6 mt-10 -141.49 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.702 HG11 ' HG3' ' A' ' 105' ' ' GLN . 25.2 m -118.61 144.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.2 -141.38 10.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -105.99 101.39 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 17.1 m80 -87.75 142.22 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.9 mt -111.17 117.16 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.57 HG22 HG12 ' A' ' 51' ' ' ILE . 14.6 t -98.41 113.61 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 m -82.56 109.9 17.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 94' ' ' VAL . 33.6 mm -117.42 112.25 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -131.0 172.33 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HG2' ' ND2' ' A' ' 90' ' ' ASN . 21.0 ttmt -127.34 106.07 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 89' ' ' LYS . 69.5 m-20 62.45 27.67 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.85 17.55 37.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.89 103.32 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -39.7 144.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 47' ' ' LEU . 17.9 m -108.67 -178.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.2 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.057 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 8.3 m-80 59.21 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 36.6 t -131.8 143.38 48.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.71 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.5 Cg_endo -69.77 153.91 93.13 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.715 -1.786 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.1 t -86.15 118.82 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -80.48 135.94 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.0 mt -133.75 143.92 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 tpt -105.29 125.87 51.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.413 HG12 HG12 ' A' ' 80' ' ' VAL . 46.3 t -118.15 125.92 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.81 152.97 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.702 ' HG3' HG11 ' A' ' 80' ' ' VAL . 21.1 mt-30 -83.46 89.11 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.2 m -48.87 117.42 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -59.77 154.97 16.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 8' ' ' ILE . 70.7 mt -79.54 -62.43 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 150.23 -43.44 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 163.41 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.53 148.3 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.89 173.6 13.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.92 16.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 p -171.01 129.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -160.07 148.88 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -88.28 -47.39 8.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -102.03 158.4 16.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.02 89.94 2.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -133.22 129.73 38.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 m -82.28 -52.44 6.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -96.07 127.63 9.24 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.521 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -34.26 148.99 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 172.38 12.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.55 45.08 0.25 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 5.8 t -126.86 88.61 54.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.46 32.08 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -83.99 74.39 10.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 11' ' ' SER . 70.0 p -128.15 -178.64 4.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.36 145.36 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 -17.27 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 pt -60.14 147.62 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -110.32 157.74 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -56.97 -44.55 82.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.42 -53.58 35.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.4 m 56.15 44.71 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.79 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.6 118.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.1 p -146.17 154.08 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.9 m -111.44 142.36 43.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.43 HE21 ' CB ' ' A' ' 106' ' ' SER . 9.3 tt0 -106.35 127.88 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.5 t -131.17 151.43 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -89.15 110.16 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' N ' ' A' ' 79' ' ' GLU . 13.4 tp -64.7 126.02 26.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.99 24.9 39.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.5 m -150.44 132.31 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.45 113.28 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.05 138.69 53.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.9 151.11 31.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 101' ' ' ILE . 83.8 m-85 -135.97 127.64 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 66' ' ' LEU . 7.1 tp -93.77 108.47 20.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.3 pt? -107.5 131.37 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.06 98.71 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.438 HG23 ' HG ' ' A' ' 37' ' ' LEU . 5.5 pt -133.57 153.24 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.411 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 43.4 m -106.88 32.72 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 2.8 mp0 -119.9 127.85 53.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.9 t -91.98 -44.06 9.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 m-20 -58.81 133.77 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' C ' ' A' ' 64' ' ' LYS . 3.3 mp -102.16 -56.49 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 t -51.54 -49.31 62.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 m -58.1 -17.77 20.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 167.91 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -121.32 159.04 26.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.736 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . . . -140.2 120.42 13.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.036 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -149.23 134.91 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 85' ' ' VAL . 61.6 mt -131.17 134.14 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 17.7 tptt -132.99 104.54 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.18 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.8 Cg_endo -69.77 -17.76 37.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -96.77 8.17 44.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.14 24.62 57.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.24 114.57 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.91 156.55 36.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -137.25 143.72 42.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.72 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.717 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.4 p -93.69 144.22 25.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.591 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.19 131.89 31.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.736 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 12.1 mt -92.14 135.83 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.724 ' C ' HD21 ' A' ' 44' ' ' LEU . 10.2 ptpt -143.85 172.01 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -98.07 123.43 42.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 HD12 ' A' ' 36' ' ' LEU . 87.1 mt -93.9 154.28 40.83 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 60.78 33.32 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 55.84 49.17 16.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -134.46 166.79 22.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.0 mt -141.11 143.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.39 166.83 31.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD11 ' HB2' ' A' ' 61' ' ' CYS . 14.9 tt -103.71 159.42 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.181 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -136.27 116.09 13.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 77' ' ' PRO . 5.9 p90 -147.88 158.97 44.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.802 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -103.0 95.78 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.497 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 53.0 Cg_endo -69.82 132.7 23.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.51 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -102.47 -16.72 16.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.567 ' N ' HD11 ' A' ' 29' ' ' LEU . 2.0 tt0 -125.63 167.04 15.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 105' ' ' GLN . 20.3 m -117.67 135.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.84 -142.42 9.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -99.98 111.71 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -104.87 132.65 50.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.23 115.37 30.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.867 HG12 HD11 ' A' ' 87' ' ' ILE . 16.3 t -95.3 112.72 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -80.79 113.26 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.867 HD11 HG12 ' A' ' 85' ' ' VAL . 15.6 mm -126.67 118.65 51.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 92' ' ' ASN . 19.8 mttt -135.34 172.63 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -124.69 104.0 8.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 64.08 27.59 14.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.99 16.82 39.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' HIS . 79.0 m-20 -130.78 102.23 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASN . 17.9 m-70 -34.44 141.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 87' ' ' ILE . 31.7 m -104.71 174.26 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.9 144.73 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 63.67 33.58 12.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.558 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 33.2 t -137.82 143.61 40.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.82 157.98 91.65 Favored 'Cis proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.288 0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 37' ' ' LEU . 40.0 t -85.68 125.43 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.0 p -90.06 109.72 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 35' ' ' PHE . 56.5 mt -112.97 142.72 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.9 tpp -109.08 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.22 136.94 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.1 170.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.58 ' HG3' HG11 ' A' ' 80' ' ' VAL . 26.3 mt-30 -99.72 115.94 30.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.43 ' CB ' HE21 ' A' ' 26' ' ' GLN . 54.5 p -89.31 116.75 27.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.79 139.93 53.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 76.9 mt -96.55 -43.47 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -100.86 80.45 0.45 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.471 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.59 158.06 16.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -77.01 172.49 13.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 168.69 162.39 20.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.4 53.55 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 m -110.05 113.47 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 m -45.4 -64.24 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.429 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -130.39 115.72 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.813 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -99.03 87.32 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.12 96.41 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -87.21 -60.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.813 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -109.02 149.8 28.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.58 154.17 16.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.8 pt -65.14 147.78 98.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 111.203 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 103.07 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.417 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.81 52.91 0.82 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.1 m -47.85 -60.06 4.83 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.73 . . . . 0.0 110.94 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 11' ' ' SER . 53.4 Cg_endo -69.84 176.17 7.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -139.41 138.31 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.5 m -115.95 130.18 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.13 114.98 6.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -133.6 116.09 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.7 pt -57.17 142.44 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -171.89 141.04 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -174.99 133.44 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.32 148.87 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -92.21 47.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmt85 -115.48 166.56 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -46.1 -41.22 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.7 p -111.67 125.0 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -80.21 159.68 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -120.71 129.26 53.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG21 ' CE2' ' A' ' 35' ' ' PHE . 3.0 t -141.79 155.76 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -85.1 131.04 34.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD13 HG13 ' A' ' 80' ' ' VAL . 4.2 tp -82.53 133.02 35.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.83 6.89 87.39 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 m -129.86 120.58 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.45 116.1 1.46 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.02 144.51 49.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.15 144.7 26.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 51.5 m-85 -122.59 113.52 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 66' ' ' LEU . 7.1 tp -83.96 105.69 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.04 144.67 48.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -90.85 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 pt -125.59 120.5 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -82.39 43.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -131.14 116.15 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.6 p -96.35 -175.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' LEU . 6.2 m-20 70.45 49.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.686 ' H ' HD12 ' A' ' 44' ' ' LEU . 2.9 mp -37.73 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -56.81 -51.41 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -57.13 -23.96 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.724 HD22 HG11 ' A' ' 94' ' ' VAL . 70.3 mt -94.85 160.74 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.54 153.61 22.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HB2' HD12 ' A' ' 63' ' ' LEU . . . -128.36 123.63 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.041 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t -149.6 139.75 22.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 85' ' ' VAL . 60.4 mt -142.24 135.14 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -136.32 121.59 19.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -62.68 167.14 6.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 p -97.9 9.89 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.19 23.05 72.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.7 mtp85 -105.1 108.74 20.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 152.19 35.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 10.8 mp0 -131.4 141.06 40.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.696 0.76 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 p -108.8 145.64 34.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -142.36 123.44 14.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' N ' HD13 ' A' ' 62' ' ' LEU . 9.8 mt -77.5 131.59 37.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.97 151.48 38.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -78.55 147.98 33.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 36' ' ' LEU . 40.1 mt -119.83 155.02 55.37 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 169.8 18.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 69.04 30.08 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 57.67 49.62 12.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -137.01 173.3 11.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 72' ' ' GLY . 52.0 mt -141.12 152.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 71' ' ' ILE . . . -158.63 156.42 27.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.31 146.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -117.3 114.5 23.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 13.7 p90 -148.62 162.27 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.0 mt -109.51 105.33 57.06 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.8 115.38 4.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -79.46 -17.78 53.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' C ' HD11 ' A' ' 29' ' ' LEU . 4.5 mm-40 -141.09 -177.27 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 103' ' ' VAL . 33.3 m -123.88 145.76 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.169 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.1 -142.32 11.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -100.4 101.73 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.46 141.17 28.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.2 mt -113.83 114.5 26.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG12 HD11 ' A' ' 87' ' ' ILE . 18.7 t -94.09 113.58 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.518 ' O ' HD13 ' A' ' 87' ' ' ILE . 3.1 m -83.66 112.95 20.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.791 HD11 HG12 ' A' ' 85' ' ' VAL . 20.7 mm -121.97 117.6 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -135.91 172.45 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HE3' HD21 ' A' ' 47' ' ' LEU . 30.7 ttmt -127.07 108.35 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 60.21 26.97 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.91 17.41 35.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 93' ' ' HIS . 74.4 m-20 -130.35 102.88 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 92' ' ' ASN . 11.4 m-70 -36.41 151.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.724 HG11 HD22 ' A' ' 47' ' ' LEU . 30.0 m -113.27 -179.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.98 149.79 50.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.509 ' O ' HG22 ' A' ' 99' ' ' VAL . 12.2 m-80 56.86 35.54 26.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.544 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.0 t -135.49 142.55 41.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.76 151.96 91.88 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.292 0.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.5 t -84.0 120.58 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.5 p -82.24 131.23 35.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.454 HG21 ' CE2' ' A' ' 35' ' ' PHE . 80.4 mt -129.53 143.73 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.7 tpt -108.09 117.58 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.764 HG12 HG12 ' A' ' 80' ' ' VAL . 86.2 t -109.59 133.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.14 135.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.53 HE22 HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.95 134.38 51.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.7 p -113.52 167.32 10.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -120.97 115.74 23.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.81 -60.28 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 85.41 -89.93 1.63 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.491 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -157.49 152.6 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.0 t -123.23 124.61 43.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.26 68.61 0.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.573 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.42 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.2 m -138.38 161.88 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.5 m -65.0 -58.21 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -98.4 109.22 22.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -80.78 -56.74 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.96 -72.01 0.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -63.14 106.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -156.17 131.89 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.794 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.18 93.15 2.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 pt -90.69 150.69 42.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 179.97 3.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.18 38.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.499 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -69.5 -60.26 4.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.75 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 11' ' ' SER . 52.9 Cg_endo -69.77 -24.54 29.49 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.244 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -70.68 -179.97 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 m -38.27 -71.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.41 165.11 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -65.07 -47.21 78.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -135.72 122.1 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -67.92 135.29 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.86 150.03 20.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 -42.71 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.8 m 50.89 44.64 28.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -96.68 172.19 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -113.05 46.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -160.35 150.44 18.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -114.46 133.75 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 104' ' ' VAL . 11.1 tt0 -81.68 135.94 35.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.26 149.44 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.75 118.82 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' C ' ' A' ' 78' ' ' ARG . 28.8 tp -80.13 120.63 24.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.11 14.39 45.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -142.58 147.43 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.52 138.75 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -93.48 140.97 28.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 48.5 m-85 -124.06 108.49 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 70' ' ' HIS . 7.8 tp -85.99 114.88 23.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -126.55 139.02 53.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.07 103.34 13.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 pt -129.62 146.98 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 t -84.84 34.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 47' ' ' LEU . 45.0 mm-40 -133.12 133.46 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 71' ' ' ILE . 53.7 m -116.04 -56.89 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.4 m-20 -38.6 98.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 ' CA ' ' A' ' 64' ' ' LYS . 2.6 mp -59.66 -61.55 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 m -48.14 -47.63 34.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 17.4 m -54.27 -32.62 56.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 41' ' ' GLU . 77.1 mt -93.31 172.63 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 m -132.44 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.642 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -121.78 122.16 38.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -146.67 137.23 23.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG12 HG22 ' A' ' 85' ' ' VAL . 56.2 mt -137.43 132.25 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' ALA . 5.3 tptm -126.87 101.14 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.868 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.61 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.091 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.868 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.2 Cg_endo -69.75 -15.34 37.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.5 p -97.65 7.68 46.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.36 15.77 79.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -96.03 122.39 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.39 153.05 44.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -129.16 143.82 50.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 85.76 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.607 2.205 . . . . 0.0 112.311 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD11 ' A' ' 73' ' ' ILE . 5.1 p -90.08 145.71 24.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.1 120.61 11.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 11.7 mt -85.3 144.15 28.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' CA ' HD21 ' A' ' 44' ' ' LEU . 9.2 ptmm? -148.44 178.09 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 115.57 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HB2' ' C ' ' A' ' 70' ' ' HIS . 95.7 mt -84.06 153.79 63.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.9 175.21 8.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.617 2.212 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.0 m120 62.02 30.1 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 61.8 41.73 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.1 m-70 -123.21 157.89 32.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 42' ' ' THR . 43.8 mt -145.1 135.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.57 -170.9 16.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 61' ' ' CYS . 18.0 tt -110.08 155.06 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -134.8 108.58 8.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.2 p90 -145.05 161.61 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 mt -108.84 102.11 46.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 134.16 27.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.686 ' C ' HD11 ' A' ' 29' ' ' LEU . 2.7 mpt_? -103.27 -12.47 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' N ' HD11 ' A' ' 29' ' ' LEU . 5.4 mt-10 -133.89 162.37 32.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 103' ' ' VAL . 15.5 m -113.1 143.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.22 -135.07 5.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -103.96 104.57 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -99.63 128.28 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.9 mt -103.6 120.36 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.703 HG22 HG12 ' A' ' 51' ' ' ILE . 23.9 t -99.96 114.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.93 111.26 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 85' ' ' VAL . 16.1 mm -119.5 119.49 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HA ' HG13 ' A' ' 94' ' ' VAL . 14.4 mttt -137.31 172.0 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -127.08 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 58.54 26.08 13.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.74 33.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.8 m-80 -130.83 101.77 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.4 m-70 -34.65 145.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG11 HD22 ' A' ' 47' ' ' LEU . 17.2 m -108.24 179.87 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.57 145.44 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 65.1 29.12 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 47.4 t -131.31 142.79 46.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.66 0.743 . . . . 0.0 110.813 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.77 147.17 84.13 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.287 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.98 119.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.2 p -84.56 119.36 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 mt -125.93 141.91 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -106.8 116.89 32.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.647 HG12 HG12 ' A' ' 80' ' ' VAL . 58.3 t -100.8 131.99 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 26' ' ' GLN . 11.2 m -135.69 171.86 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.457 ' NE2' ' HB3' ' A' ' 29' ' ' LEU . 1.9 mm-40 -100.45 125.29 46.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -83.23 156.64 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 2.4 pp20? -110.32 120.6 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -174.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 110' ' ' ASP . . . -178.44 -132.6 1.75 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.517 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 109' ' ' GLY . 3.6 m-20 -35.09 -48.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 t -124.23 123.21 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.12 -96.97 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.56 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.35 11.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.6 p -139.92 118.68 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.79 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 61.0 m -98.73 176.07 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -128.15 122.38 31.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -114.18 107.05 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.9 -59.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -159.11 144.83 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -128.63 143.07 50.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.36 55.04 2.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -47.56 145.68 4.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 111.082 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 151.88 68.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.608 2.205 . . . . 0.0 112.387 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.09 121.05 3.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.541 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -134.13 130.37 20.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.876 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 167.86 23.15 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -114.1 -53.87 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -94.93 127.8 41.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.78 94.24 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -114.3 -54.19 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -87.21 125.14 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -164.32 153.85 13.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.04 112.95 7.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.74 -46.73 13.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 57.14 34.31 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -118.03 163.31 16.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -84.71 -41.83 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.6 m -75.34 146.37 40.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.6 m -71.2 142.91 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -101.19 128.41 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 28' ' ' LYS . 23.7 t -137.15 155.96 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -93.04 114.85 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' C ' ' A' ' 78' ' ' ARG . 13.7 tp -79.18 113.71 17.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.92 13.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' ILE . 3.9 t -152.02 145.19 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.6 107.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.21 128.9 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -86.44 135.4 33.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.675 ' CE2' HG21 ' A' ' 101' ' ' ILE . 94.9 m-85 -119.44 122.95 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.27 117.76 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -128.49 158.28 38.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -103.18 97.91 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 pt -120.73 148.27 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 m -89.91 31.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 38.9 mm-40 -126.04 120.29 29.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.538 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.1 t -92.78 -46.76 7.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.538 ' N ' HG23 ' A' ' 42' ' ' THR . 1.1 m-20 -48.75 126.22 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.7 mt -90.3 -59.68 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -58.59 -45.44 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 42.8 m -54.39 -18.96 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' ' 41' ' ' GLU . 87.0 mt -101.59 164.65 11.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -114.44 150.32 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -128.31 116.6 20.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t -147.99 144.58 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.41 HD12 ' CG ' ' A' ' 75' ' ' PHE . 52.3 mt -143.89 134.85 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE3' ' CA ' ' A' ' 56' ' ' GLY . 13.8 tptt -133.83 103.58 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.861 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.69 169.06 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.861 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.9 Cg_endo -69.74 -17.99 37.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -96.07 8.09 44.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' CA ' ' HE3' ' A' ' 52' ' ' LYS . . . 81.66 21.44 61.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.562 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -98.69 120.97 40.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.821 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.45 146.0 41.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -125.87 144.05 47.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.3 p -101.13 144.84 29.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.83 120.15 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB3' HD23 ' A' ' 44' ' ' LEU . 12.7 mt -78.61 134.29 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 71' ' ' ILE . 11.4 ptmm? -140.95 177.43 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.65 121.51 44.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 96.0 mt -90.64 153.64 45.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 173.96 10.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 41.5 t-20 65.28 27.54 12.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 62.78 44.87 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 8.2 m-70 -129.56 160.23 33.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LYS . 96.6 mt -145.02 140.6 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.59 -177.24 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.55 150.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -127.47 110.65 12.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' HD12 ' A' ' 51' ' ' ILE . 8.2 p90 -146.96 160.38 42.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 31' ' ' SER . 7.6 mt -104.5 100.66 23.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.64 ' C ' HD11 ' A' ' 29' ' ' LEU . 9.9 tpt180 -92.16 -34.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.818 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 7.6 tp10 -111.42 153.78 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 103' ' ' VAL . 26.8 m -103.73 141.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.29 -136.76 6.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -104.55 104.79 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -96.94 136.76 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.9 mt -107.44 116.25 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.915 HG12 HD11 ' A' ' 87' ' ' ILE . 13.4 t -94.74 114.27 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.644 ' O ' HD13 ' A' ' 87' ' ' ILE . 1.2 m -82.68 108.65 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.915 HD11 HG12 ' A' ' 85' ' ' VAL . 11.0 mm -120.46 113.95 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 93' ' ' HIS . 23.1 mttt -132.71 173.63 11.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -131.35 111.99 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 90' ' ' ASN . 1.1 m-80 61.12 28.94 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.75 17.48 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' HIS . 73.8 m-20 -130.87 102.64 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' ASN . 10.7 m-70 -34.11 143.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.3 m -100.27 178.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.03 139.45 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 69.09 28.54 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.561 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 11.1 t -128.45 146.51 60.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.78 159.21 90.11 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.334 0.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.17 122.29 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -84.44 118.9 24.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 35' ' ' PHE . 82.2 mt -122.05 145.03 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.0 tpt -108.0 118.04 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.538 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -104.72 137.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -139.81 153.38 23.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.495 ' CG ' HG11 ' A' ' 80' ' ' VAL . 9.2 mt-30 -77.97 120.7 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 p -66.42 149.19 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -126.67 137.96 53.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -100.49 124.66 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 148.4 63.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.413 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -100.73 108.78 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.1 p -67.79 132.82 48.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.41 70.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.414 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.81 15.79 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 115' ' ' SER . 30.8 p -58.66 128.4 36.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.7 m 35.51 47.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 53.96 41.28 32.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -96.3 140.25 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.12 43.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 m -47.26 143.35 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -101.05 -54.43 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.45 164.14 34.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 pt -44.79 145.27 1.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 85.28 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.08 128.68 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.9 p -106.27 88.24 3.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.743 . . . . 0.0 110.91 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -4.73 14.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.68 116.72 7.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.2 p -138.96 168.85 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.36 122.98 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.67 121.25 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 pt -86.11 42.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 m -162.47 140.04 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.6 120.44 8.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -79.58 151.78 30.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.4 m -88.68 41.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -93.0 167.3 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -99.16 -48.24 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.5 m -38.67 111.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.9 m -82.65 128.08 34.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' HB3' ' A' ' 106' ' ' SER . 25.4 tt0 -87.08 138.07 31.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG13 ' CB ' ' A' ' 33' ' ' ALA . 5.6 t -137.47 167.21 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' N ' HG12 ' A' ' 27' ' ' VAL . 1.8 mppt? -104.8 118.81 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 79' ' ' GLU . 9.8 tp -69.66 112.38 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.03 6.98 29.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 p -139.29 133.14 30.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 117.33 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -114.78 155.28 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.44 152.81 18.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 64.6 m-85 -133.42 114.97 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 66' ' ' LEU . 6.8 tp -86.47 118.3 25.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 99' ' ' VAL . 1.8 pt? -133.23 135.36 44.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -81.95 102.71 11.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -131.13 140.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.4 m -80.01 47.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.9 mt-10 -134.71 114.54 12.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -93.84 -27.3 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -76.81 140.94 40.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -102.7 -58.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -52.23 -43.45 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 m -59.22 -25.63 64.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD22 HG11 ' A' ' 94' ' ' VAL . 59.6 mt -92.75 170.0 10.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -119.13 151.36 38.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.2 116.89 22.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -150.18 131.72 14.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.537 ' CG1' HG13 ' A' ' 85' ' ' VAL . 45.8 mt -140.82 152.28 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -159.05 121.14 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.832 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -47.8 168.32 0.16 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 111.04 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.832 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -15.52 37.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -88.66 -1.13 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.35 20.56 41.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -103.7 111.19 23.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 161.09 1.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -141.44 143.96 32.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.767 ' HB2' HD11 ' A' ' 73' ' ' ILE . 23.0 p -108.56 137.93 45.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -136.18 119.89 17.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.69 130.72 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.72 166.22 24.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' NH2' ' HA ' ' A' ' 69' ' ' ASN . 12.2 tpt180 -93.0 133.26 36.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 36' ' ' LEU . 92.1 mt -104.85 154.46 38.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 172.9 11.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 6.8 m-20 61.38 41.26 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 11.5 t-20 49.6 49.91 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 33.6 m-70 -133.14 163.08 30.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 70' ' ' HIS . 46.6 mt -144.32 142.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.55 169.48 31.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.407 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.767 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.0 tt -105.23 154.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 t -131.03 122.67 27.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.669 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 9.3 p90 -152.62 159.52 43.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 25.1 mt -102.61 100.92 17.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.8 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' C ' HD11 ' A' ' 29' ' ' LEU . 5.9 tpt180 -87.62 -30.14 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' N ' HD11 ' A' ' 29' ' ' LEU . 7.3 tt0 -120.1 171.34 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.617 HG11 ' HG3' ' A' ' 105' ' ' GLN . 16.9 m -115.4 142.48 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.99 -142.83 10.94 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -102.75 103.98 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -92.51 145.93 24.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.46 116.39 28.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.971 HG12 HD11 ' A' ' 87' ' ' ILE . 10.6 t -96.94 112.66 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.5 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.0 m -83.9 106.89 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.971 HD11 HG12 ' A' ' 85' ' ' VAL . 13.5 mm -118.53 114.23 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -130.93 172.97 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -126.88 105.29 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 60.38 28.13 17.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.95 17.63 34.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -130.65 102.67 6.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -38.62 143.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 87' ' ' ILE . 35.7 m -103.09 -178.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 146.74 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 99' ' ' VAL . 38.9 m-80 62.71 27.75 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 30.1 t -128.98 144.18 51.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 145.29 79.19 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.603 -1.832 . . . . 0.0 112.355 0.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG21 HD13 ' A' ' 37' ' ' LEU . 40.5 t -77.44 124.96 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.8 p -87.49 131.78 34.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.584 HG21 ' CE2' ' A' ' 35' ' ' PHE . 84.5 mt -128.48 146.39 33.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.9 tpt -111.31 118.91 37.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 80' ' ' VAL . 58.0 t -111.53 131.21 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.49 143.71 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.617 ' HG3' HG11 ' A' ' 80' ' ' VAL . 54.0 mt-30 -67.08 87.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.426 ' HB3' ' CG ' ' A' ' 26' ' ' GLN . 75.1 p -93.96 85.63 4.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -97.55 117.96 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.9 mt -91.77 -53.64 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.48 51.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.85 112.99 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.816 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.9 t -122.17 108.21 13.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -154.91 166.89 32.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 159.56 52.99 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 p -105.44 13.43 30.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 t -167.91 107.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -107.1 134.51 50.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -60.49 -47.56 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.67 73.94 0.84 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -109.0 82.55 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -151.48 158.21 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -177.15 46.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -44.51 142.81 2.28 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.554 0.692 . . . . 0.0 111.15 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 116.87 4.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.61 -75.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.3 p -162.24 148.34 10.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.645 0.736 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.87 32.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.668 2.246 . . . . 0.0 112.303 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -130.3 139.87 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.999 0.428 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.5 p -90.73 -47.34 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.72 120.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -99.54 134.41 42.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 17' ' ' ILE . 3.1 mp -107.45 -38.05 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -145.31 122.52 11.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.91 115.46 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -41.36 161.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -112.23 41.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -99.77 172.92 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -101.0 -49.92 3.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.826 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -40.58 114.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 m -95.11 101.84 13.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.3 134.78 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 28' ' ' LYS . 11.8 t -129.78 162.65 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.095 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' N ' HG12 ' A' ' 27' ' ' VAL . 26.0 mmtp -96.32 105.93 18.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' C ' ' A' ' 78' ' ' ARG . 15.5 tp -59.09 139.39 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.67 21.58 78.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.3 m -147.88 127.81 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.13 130.66 39.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.38 147.34 39.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.52 151.02 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD2' HD13 ' A' ' 101' ' ' ILE . 35.5 m-85 -135.49 112.04 9.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 70' ' ' HIS . 4.1 tp -88.78 124.51 34.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.5 pt? -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -80.68 99.4 8.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 pt -125.6 137.83 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -84.22 37.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' HB3' HD21 ' A' ' 47' ' ' LEU . 62.6 mm-40 -133.06 124.13 27.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 43' ' ' ASP . 17.7 p -90.15 -64.9 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-20 -35.41 125.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.7 mt -83.75 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 t -53.38 -43.47 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 7.4 m -55.88 -23.67 32.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 41' ' ' GLU . 30.6 mt -99.84 166.85 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 49' ' ' ALA . 7.0 m -126.07 160.56 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.862 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -135.72 124.72 24.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -150.18 135.12 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.808 HG12 HG22 ' A' ' 85' ' ' VAL . 65.9 mt -142.96 140.97 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -140.13 114.21 9.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.48 169.47 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.75 -16.4 37.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -91.74 2.94 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.65 8.87 72.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -89.27 110.31 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.89 141.87 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.773 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 39.2 mp0 -114.69 142.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.74 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 93.43 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.871 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.8 p -104.05 149.19 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -144.99 127.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.862 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 8.9 mt -78.01 135.09 37.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 71' ' ' ILE . 13.6 ptmt -141.85 175.24 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -106.76 120.29 41.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 36' ' ' LEU . 95.3 mt -90.58 154.02 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -175.84 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 112.372 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 54.81 27.84 9.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 62.29 51.79 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.526 ' HB3' HD11 ' A' ' 36' ' ' LEU . 43.6 m-70 -136.44 160.38 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 64' ' ' LYS . 87.6 mt -145.05 136.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.08 -167.01 11.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.871 HD11 ' HB2' ' A' ' 61' ' ' CYS . 16.3 tt -117.39 146.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 111.083 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -121.0 115.4 23.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -150.09 165.91 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 14.0 mt -113.64 106.7 53.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 131.93 22.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.304 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.638 ' C ' HD11 ' A' ' 29' ' ' LEU . 55.6 mmm-85 -96.87 -28.12 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' N ' HD11 ' A' ' 29' ' ' LEU . 25.3 mm-40 -126.9 -179.82 5.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 103' ' ' VAL . 5.5 m -123.7 147.66 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.52 -135.01 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.55 104.43 14.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -97.25 140.11 32.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -112.57 128.65 56.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.808 HG22 HG12 ' A' ' 51' ' ' ILE . 17.5 t -107.31 112.48 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -83.08 103.84 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.649 HD11 HG12 ' A' ' 85' ' ' VAL . 30.2 mm -109.33 126.35 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -141.88 171.07 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -125.7 105.66 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 62.34 26.26 15.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.18 16.74 34.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' HIS . 63.0 m-80 -130.87 102.56 6.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' ASN . 7.7 m-70 -36.49 151.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 m -115.77 174.92 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 144.65 56.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 70.56 27.27 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.559 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 22.0 t -133.6 144.99 54.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.8 Cg_endo -69.75 156.11 92.91 Favored 'Cis proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.393 -0.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.56 HG21 HD12 ' A' ' 37' ' ' LEU . 14.8 t -84.86 136.92 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.8 p -99.28 121.48 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.598 HD13 ' CD2' ' A' ' 35' ' ' PHE . 74.0 mt -125.71 143.11 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.1 tpt -103.97 121.19 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 80' ' ' VAL . 53.2 t -113.7 134.34 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.0 m -151.11 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -82.27 140.64 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.6 p -90.68 94.6 9.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.14 46.96 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.7 mt -130.84 123.77 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -142.11 -173.43 14.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -129.06 126.85 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.762 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.4 t -88.98 108.46 19.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -125.05 146.32 16.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.56 35.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.0 p -172.38 107.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 t -119.27 141.87 48.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -84.1 133.76 34.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -105.17 85.04 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -104.03 -57.04 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -169.65 169.85 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.36 -173.74 44.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.1 pt -60.5 147.65 82.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.31 37.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.19 -75.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -149.03 120.01 4.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.731 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' PHE . 52.9 Cg_endo -69.79 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.311 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.917 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 6.2 t80 -37.68 141.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 t -120.08 3.9 10.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.917 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -104.67 -4.47 22.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' ALA . 12.9 mtpp -37.35 -38.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 pt -99.08 -22.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 29.2 m -77.89 119.36 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' SER . 8.8 m-20 -86.47 114.96 23.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -35.58 95.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ASP . 49.0 m -53.17 -22.61 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' H ' ' CD ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.72 -179.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -116.57 39.55 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.7 m -116.96 90.86 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -96.35 153.87 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' NE2' ' HB2' ' A' ' 106' ' ' SER . 10.6 tm0? -106.89 132.32 52.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 28' ' ' LYS . 27.4 t -138.55 156.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 27' ' ' VAL . 13.6 mmmm -91.49 120.6 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.817 HD13 HG13 ' A' ' 80' ' ' VAL . 8.4 tp -64.02 146.84 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.28 22.75 59.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.0 m -137.59 134.44 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.18 112.1 7.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.17 162.9 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD2' HD21 ' A' ' 66' ' ' LEU . 12.8 t70 -97.99 157.85 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HG21 ' A' ' 101' ' ' ILE . 96.6 m-85 -139.62 124.03 18.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tp -97.16 111.94 23.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -121.55 128.15 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.66 97.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -126.99 132.52 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 m -84.42 44.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.55 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 mm-40 -137.45 126.45 24.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 33.0 p -97.56 -65.2 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 3.5 p30 -34.57 114.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.02 -58.86 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 p -47.32 -54.04 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -48.35 -34.54 10.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 41' ' ' GLU . 64.5 mt -90.57 168.53 11.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -129.75 153.69 47.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.744 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -125.22 123.63 39.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -148.61 138.64 22.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 75' ' ' PHE . 60.2 mt -138.68 136.31 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.208 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.28 102.9 6.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.82 169.29 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.729 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_endo -69.76 -17.06 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.373 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -96.92 7.17 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.93 23.06 64.74 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.42 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.3 mtp85 -102.74 114.66 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.77 148.82 32.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.701 ' OE2' ' HB2' ' A' ' 53' ' ' ALA . 2.4 mm-40 -127.14 143.57 47.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.71 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.8 p -101.71 144.23 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -142.03 128.93 20.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.744 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 17.0 mt -85.04 137.75 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' ILE . 19.2 ptpt -146.4 164.56 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -89.67 127.06 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD21 ' OD2' ' A' ' 34' ' ' ASP . 59.8 mt -96.99 155.05 37.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.621 0.724 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 164.06 36.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 40.3 t30 73.69 28.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 m120 61.31 41.51 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 15.6 m-70 -127.76 165.55 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 64' ' ' LYS . 19.8 mt -141.34 141.29 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.68 174.5 26.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 35' ' ' PHE . 10.3 tt -107.14 155.7 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -132.87 119.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.614 ' CD1' ' CD1' ' A' ' 51' ' ' ILE . 20.7 p90 -155.51 154.37 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 70.4 mt -97.61 102.81 14.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 Cg_endo -69.75 96.45 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -33.9 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.706 ' CA ' HD11 ' A' ' 29' ' ' LEU . 15.0 tt0 -122.08 174.19 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG13 HD13 ' A' ' 29' ' ' LEU . 27.9 m -117.13 162.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.95 -133.34 7.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.67 101.43 10.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -93.57 125.85 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.7 mt -100.86 114.69 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.746 HG12 HD11 ' A' ' 87' ' ' ILE . 10.2 t -93.07 115.46 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.8 m -87.12 107.17 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.746 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -115.19 114.77 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -131.85 171.91 12.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -125.21 106.51 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 60.74 27.08 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.57 17.09 34.6 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' HIS . 27.7 m-80 -130.77 101.97 5.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ASN . 18.7 m-70 -37.44 146.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 87' ' ' ILE . 34.0 m -108.46 -177.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.09 146.02 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.496 ' O ' HG22 ' A' ' 99' ' ' VAL . 40.6 m-80 65.21 29.18 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.4 t -133.91 144.89 53.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.84 154.21 93.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.357 0.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 96' ' ' ASN . 21.9 t -88.41 120.62 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -86.53 130.65 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.577 HG21 ' CE2' ' A' ' 35' ' ' PHE . 51.5 mt -130.45 141.07 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.5 tpt -103.6 126.24 50.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 80' ' ' VAL . 95.9 t -119.76 143.29 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -154.43 149.3 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' OE1' HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -84.08 84.51 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.45 ' HB2' ' NE2' ' A' ' 26' ' ' GLN . 3.1 m -65.65 -70.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -41.46 146.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.0 mt -102.69 -49.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.39 -94.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -133.85 153.83 51.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 0.0 110.822 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.9 t -95.23 44.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.42 146.39 4.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.76 8.73 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 t -161.7 122.76 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.4 m -97.11 139.71 32.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 93.5 p -110.65 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 110.825 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.8 m -37.94 154.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.12 -105.21 1.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -50.7 111.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -157.41 150.44 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.98 -87.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.1 pt -40.51 150.75 0.27 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 106.9 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.345 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.25 171.6 12.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 p -70.63 137.27 85.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -148.0 141.45 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.4 m -139.41 122.27 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.36 111.6 23.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.71 -30.73 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.92 145.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 m -139.03 118.37 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.54 168.24 20.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -113.12 119.33 37.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 22' ' ' ARG . 37.7 p -42.86 -47.52 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 21' ' ' SER . 27.1 ptt85 -34.57 -40.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -70.05 -66.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -139.57 172.45 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.4 m -115.6 153.06 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -126.85 130.84 51.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG1' ' CB ' ' A' ' 33' ' ' ALA . 2.6 t -140.84 159.81 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -92.69 114.71 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.968 HD11 ' C ' ' A' ' 78' ' ' ARG . 14.7 tp -72.24 114.01 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.7 4.97 39.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 m -134.81 146.83 49.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 118.21 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' CG1' ' A' ' 27' ' ' VAL . . . -123.38 135.23 54.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.04 148.33 25.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 101' ' ' ILE . 38.1 m-85 -129.04 125.14 36.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.83 112.32 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.2 pt? -120.61 133.66 55.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.42 102.19 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 pt -128.77 166.81 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.6 m -111.39 30.05 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' CB ' HD11 ' A' ' 47' ' ' LEU . 6.3 mm-40 -122.0 122.98 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 43' ' ' ASP . 8.8 t -90.04 -47.36 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 42' ' ' THR . 3.4 t70 -49.01 170.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.644 HD21 ' C ' ' A' ' 64' ' ' LYS . 2.6 mp -134.7 -43.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.9 p -72.29 -36.3 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -71.71 -8.58 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD11 ' CB ' ' A' ' 41' ' ' GLU . 90.2 mt -103.76 170.45 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -121.45 149.25 43.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.562 ' HB2' ' CG ' ' A' ' 63' ' ' LEU . . . -138.32 117.0 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 m -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 61' ' ' CYS . 90.1 mt -131.85 138.84 51.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.1 tppt? -140.14 125.33 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -66.21 167.16 13.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.77 -11.47 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.742 2.295 . . . . 0.0 112.288 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.5 m -98.68 9.76 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.69 25.2 65.57 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.441 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.4 mmm180 -107.42 112.56 25.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.36 153.62 43.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.44 144.33 52.85 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 96.88 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.391 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.872 ' HB2' HD11 ' A' ' 73' ' ' ILE . 20.7 p -98.41 141.32 31.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -136.18 119.96 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.562 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 78.6 mt -78.73 143.46 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' C ' HD21 ' A' ' 44' ' ' LEU . 13.4 ptmt -147.77 176.16 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -110.25 117.91 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -88.89 154.27 49.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 50.68 29.9 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 59.39 45.91 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -127.75 164.32 22.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 37' ' ' LEU . 77.8 mt -141.22 146.15 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.8 167.87 34.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.872 HD11 ' HB2' ' A' ' 61' ' ' CYS . 7.3 tt -101.04 154.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 t -129.44 114.21 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -149.92 161.81 41.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 28.4 mt -106.65 100.92 33.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.85 139.46 39.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.279 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.968 ' C ' HD11 ' A' ' 29' ' ' LEU . 15.5 mmm180 -111.44 -29.93 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.563 ' N ' HD11 ' A' ' 29' ' ' LEU . 17.8 tp10 -111.52 152.83 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.824 HG11 ' HG3' ' A' ' 105' ' ' GLN . 32.7 m -105.64 134.16 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.63 -139.94 7.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.36 106.91 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -96.17 152.43 18.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -121.09 116.52 25.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 87' ' ' ILE . 12.4 t -95.35 112.57 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.429 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.1 m -87.68 104.97 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.925 HD11 HG12 ' A' ' 85' ' ' VAL . 13.0 mm -113.98 125.27 71.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 94' ' ' VAL . 17.9 mttt -137.86 177.38 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -131.44 104.0 6.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 61.31 30.31 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.25 42.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -130.78 104.93 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -39.34 144.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 88' ' ' LYS . 17.4 m -103.15 -176.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.53 140.98 44.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.609 ' O ' HG22 ' A' ' 99' ' ' VAL . 21.4 m-80 68.67 29.57 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.556 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 41.5 t -131.58 143.15 47.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.2 Cg_endo -69.74 151.8 91.7 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.343 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 96' ' ' ASN . 25.7 t -87.41 131.57 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.8 p -88.64 126.56 35.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.607 HG21 ' CE2' ' A' ' 35' ' ' PHE . 81.6 mt -127.51 143.64 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.9 tpt -108.62 124.63 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.66 125.21 70.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.21 156.14 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.824 ' HG3' HG11 ' A' ' 80' ' ' VAL . 74.7 mt-30 -82.82 108.01 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.2 p -55.78 100.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -74.6 112.15 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.8 mt -93.15 -62.27 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.76 -97.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -163.42 118.81 1.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.5 m -88.42 177.79 6.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.54 173.87 46.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 100.27 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 p -114.75 117.38 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -118.34 165.78 13.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -128.78 139.9 51.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -127.66 141.16 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.75 89.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -109.09 164.46 12.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -88.63 -48.91 7.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.22 60.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -60.25 151.36 68.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 130.76 19.87 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.609 2.206 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.67 101.32 1.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -103.8 145.38 30.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 117.78 5.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -168.02 136.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.3 m -100.49 88.04 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . . . -48.58 173.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -99.54 119.03 37.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -69.22 115.52 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -139.4 139.99 37.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -96.73 158.41 15.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -152.46 154.21 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -40.25 -44.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -40.62 157.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.81 -47.04 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.1 p -42.26 134.07 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 m -77.12 149.97 35.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -116.8 112.22 20.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.6 t -123.61 161.88 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -94.7 136.89 34.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' O ' ' A' ' 78' ' ' ARG . 8.8 tp -87.08 121.72 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.48 -2.78 57.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -123.08 153.63 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 118.6 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' CB ' HG13 ' A' ' 27' ' ' VAL . . . -125.29 138.91 54.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.31 151.24 28.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' A' ' 27' ' ' VAL . 68.3 m-85 -131.29 118.24 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 70' ' ' HIS . 2.7 tp -85.53 122.04 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? -133.28 139.81 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.38 97.79 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pt -122.03 128.6 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 m -84.53 37.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -129.47 129.25 44.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 42' ' ' THR . 12.6 t -118.03 39.64 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 3.3 m-20 -130.75 69.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HB3' ' A' ' 63' ' ' LEU . 1.9 mt -36.56 -59.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -50.83 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 18.9 m -48.01 -19.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -94.33 162.29 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.527 HG22 ' N ' ' A' ' 49' ' ' ALA . 6.4 m -121.72 166.24 14.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.527 ' N ' HG22 ' A' ' 48' ' ' THR . . . -138.02 116.22 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -145.35 133.57 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 61' ' ' CYS . 62.7 mt -136.23 145.23 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HE2' ' CA ' ' A' ' 56' ' ' GLY . 14.4 tptm -143.86 107.93 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.903 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -44.03 169.88 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.738 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.903 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.2 Cg_endo -69.81 -18.51 36.75 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.627 2.218 . . . . 0.0 112.364 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.4 m -96.65 5.86 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' CA ' ' HE2' ' A' ' 52' ' ' LYS . . . 85.33 24.06 45.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -98.16 117.56 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.4 142.98 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 79.4 mt-10 -126.81 143.84 48.02 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.564 0.697 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 86.7 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 73' ' ' ILE . 29.9 p -90.82 145.37 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.44 119.96 11.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB3' HD23 ' A' ' 44' ' ' LEU . 15.1 mt -77.54 140.36 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.5 161.39 40.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -90.94 132.74 35.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -105.71 155.03 38.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.82 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.86 17.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER 69.3 31.09 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 59.44 32.7 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 68' ' ' ASN . 5.7 m-70 -116.46 164.72 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 70' ' ' HIS . 55.3 mt -144.28 140.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -150.38 165.99 30.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.49 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 61' ' ' CYS . 9.8 tt -99.35 157.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -130.56 118.21 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.524 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 10.7 p90 -153.35 156.09 37.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 48.5 mt -99.94 100.26 10.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.075 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.321 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.584 ' O ' HD21 ' A' ' 29' ' ' LEU . 1.7 mpt_? -89.91 -35.63 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.5 tp10 -112.07 153.52 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 103' ' ' VAL . 27.1 m -104.17 143.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.2 -134.93 5.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -107.65 106.6 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.598 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 9.8 m80 -98.84 143.36 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 mt -112.48 115.01 27.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 87' ' ' ILE . 12.1 t -94.09 118.54 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.078 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -88.78 107.09 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.524 HD11 HG12 ' A' ' 85' ' ' VAL . 16.9 mm -115.02 118.54 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -136.53 173.17 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -127.72 106.66 9.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 60.77 27.34 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.14 18.43 33.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.557 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' HIS . 32.2 m-20 -131.02 99.62 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.759 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ASN . 5.7 m-70 -35.92 144.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 87' ' ' ILE . 20.0 m -108.3 176.46 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.96 149.45 47.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 99' ' ' VAL . 37.2 m-80 61.51 29.66 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.55 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 23.2 t -132.7 141.31 40.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.9 Cg_endo -69.76 158.16 91.29 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.372 -0.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 96' ' ' ASN . 26.3 t -89.58 131.09 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.7 p -89.54 117.54 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.504 ' CG2' ' CE1' ' A' ' 35' ' ' PHE . 68.3 mt -116.89 145.53 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 tpt -113.73 119.97 39.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.707 HG12 HG12 ' A' ' 80' ' ' VAL . 58.5 t -112.0 143.78 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -155.71 144.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.546 HE22 HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -76.52 136.26 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.6 m -57.52 132.41 53.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -111.26 95.8 5.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.09 -57.45 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.59 -169.89 53.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.48 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.7 p -105.23 117.75 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.65 75.17 1.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.543 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 -13.73 35.48 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.4 t -111.82 136.41 51.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.6 p -113.76 122.31 46.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -68.51 115.4 7.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -84.68 135.09 34.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.0 -92.95 0.7 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -155.93 172.04 19.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -122.52 104.41 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.08 115.53 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 pt -79.38 144.22 61.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.588 0.709 . . . . 0.0 111.148 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.75 137.49 35.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.607 2.204 . . . . 0.0 112.324 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 49.26 -177.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.0 p -68.68 149.59 97.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.607 0.717 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 -26.29 28.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -74.85 141.1 44.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 t -160.0 154.42 23.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.167 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.6 134.49 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -131.54 153.2 50.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 pt -55.65 -22.67 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 p -94.59 99.16 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.54 165.54 14.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.63 -49.24 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.2 t 70.7 32.67 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' SER . 1.2 mpp_? -33.88 149.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -82.15 -58.63 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.4 p -90.01 145.18 25.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 t -74.86 129.8 38.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -97.28 129.57 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.73 156.11 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -90.34 117.36 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD11 ' C ' ' A' ' 78' ' ' ARG . 11.5 tp -71.88 136.61 47.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.93 18.69 78.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.409 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m -147.93 135.08 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.29 128.64 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.0 127.76 34.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.75 156.58 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 75' ' ' PHE . 97.0 m-85 -138.8 117.51 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.25 115.49 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 71' ' ' ILE . 1.2 pt? -126.66 142.57 51.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.55 100.96 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.6 pt -126.65 142.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.47 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 4.0 m -85.35 27.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 6.8 mp0 -125.86 120.45 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 5.6 t -100.66 -28.01 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.33 105.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.11 -64.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.4 m -46.47 -51.37 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -48.67 -38.51 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.631 ' CD2' HG11 ' A' ' 94' ' ' VAL . 63.0 mt -88.52 157.6 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.61 148.56 40.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.51 122.95 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m -152.24 139.43 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 ' HB3' ' A' ' 61' ' ' CYS . 78.2 mt -139.82 142.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -141.49 105.34 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -43.73 169.33 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 54.1 Cg_endo -69.72 -18.88 36.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 m -97.79 9.45 42.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.65 17.62 67.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 5.0 mmm180 -90.08 114.09 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.5 137.48 46.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' OE1' ' CE2' ' A' ' 75' ' ' PHE . 86.7 mt-10 -121.94 143.61 39.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.654 0.74 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 92.72 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.609 ' HB3' HD12 ' A' ' 51' ' ' ILE . 17.6 p -100.74 144.05 30.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -142.9 123.62 14.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 62' ' ' LEU . 12.3 mt -83.49 135.78 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -141.75 160.65 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -84.53 133.81 34.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -105.94 154.59 39.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.76 29.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.25 28.66 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 60.49 47.23 8.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.402 ' C ' HG13 ' A' ' 71' ' ' ILE . 9.0 m-70 -133.51 165.13 25.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.5 mt -143.32 143.8 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.17 167.11 29.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.446 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.501 HD13 HG11 ' A' ' 85' ' ' VAL . 7.3 tt -97.77 149.08 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -125.7 114.43 18.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 9.5 p90 -150.95 167.93 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 58.7 mt -112.28 101.75 52.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.544 0.688 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 54.1 Cg_endo -69.66 133.55 26.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.615 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.3 -33.6 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 3.6 tp10 -114.23 151.83 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG11 ' CG ' ' A' ' 105' ' ' GLN . 33.1 m -101.01 141.8 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 146.59 -140.83 8.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -102.03 105.89 16.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 8.2 m80 -98.45 140.33 32.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 98' ' ' PRO . 22.4 mt -116.0 114.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 HG12 ' A' ' 51' ' ' ILE . 16.9 t -92.64 117.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.0 m -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 94' ' ' VAL . 26.9 mm -117.26 110.53 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.96 170.8 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -123.56 106.41 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 61.27 26.93 16.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.28 39.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 10.0 m-80 -129.79 100.12 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.9 m-70 -34.5 137.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG11 ' CD2' ' A' ' 47' ' ' LEU . 20.2 m -100.4 178.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.98 146.76 54.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 62.32 28.71 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.9 t -129.86 141.84 43.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.73 154.48 93.22 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.358 -0.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.5 t -78.09 127.38 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 p -91.54 116.26 28.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.75 150.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.7 tpt -113.2 116.77 30.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 80' ' ' VAL . 60.1 t -102.77 131.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 151.19 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' HG11 ' A' ' 80' ' ' VAL . 40.6 mt-30 -72.11 111.0 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -64.37 147.63 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -124.81 117.49 24.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.1 mm -110.31 -57.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.51 -107.65 3.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 58.7 37.33 25.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 p -81.27 -7.82 59.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.29 -157.88 53.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -21.61 33.2 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.749 2.299 . . . . 0.0 112.31 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.6 p -71.78 132.27 44.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.0 t -108.27 136.04 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.407 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -133.04 148.8 52.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.382 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -161.66 154.55 20.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.44 179.22 44.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.54 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -105.87 170.11 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -123.92 177.4 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.38 91.41 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.504 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -41.57 147.26 0.5 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.613 0.72 . . . . 0.0 111.046 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -166.61 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 11' ' ' SER . . . -150.85 62.72 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 10' ' ' GLY . 20.8 m -35.27 141.44 0.29 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -49.74 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.74 2.293 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 71.56 25.78 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.7 p -88.48 -14.81 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.76 133.79 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.848 ' HD3' HG23 ' A' ' 18' ' ' THR . 1.3 tmmt? -156.93 150.25 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 16' ' ' LYS . 83.9 mt -148.31 117.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.848 HG23 ' HD3' ' A' ' 16' ' ' LYS . 40.6 p -128.77 147.75 50.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 158.52 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.1 123.37 19.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -81.16 43.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 4.4 ptp180 -83.67 39.6 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -154.11 118.96 4.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.0 p -48.97 168.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -115.7 114.62 25.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -80.42 119.75 23.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 28' ' ' LYS . 18.1 t -118.06 157.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 27' ' ' VAL . 37.9 mmtm -92.92 98.68 11.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD22 HG13 ' A' ' 80' ' ' VAL . 13.3 tp -55.25 139.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.58 26.97 73.93 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -153.84 119.73 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.55 129.7 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -140.8 136.75 32.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.8 147.44 24.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 93.4 m-85 -127.24 148.06 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -113.79 103.15 10.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.6 pt? -105.6 140.02 39.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.72 103.48 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.4 pt -134.15 147.24 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.4 m -92.7 34.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -127.53 120.26 27.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.2 p -86.8 -49.35 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.19 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -39.84 153.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' ' 64' ' ' LYS . 1.8 mt -116.96 -52.77 2.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -65.91 -41.58 91.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -59.17 -22.37 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.9 mt -95.65 161.08 14.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 m -117.72 151.71 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 63' ' ' LEU . . . -126.36 125.63 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -151.55 138.59 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 HG13 ' A' ' 85' ' ' VAL . 54.8 mt -141.13 138.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -138.07 121.35 16.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.766 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -61.3 165.86 6.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.766 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.4 Cg_endo -69.75 -11.28 30.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -99.37 9.34 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.823 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 76.88 25.3 64.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -106.72 109.15 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.68 157.33 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -138.63 142.96 36.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 107.89 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.867 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.8 p -113.65 147.53 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -133.08 143.67 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 49' ' ' ALA . 16.2 mt -97.32 125.52 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' ILE . 9.2 ptmt -131.09 176.14 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -109.16 116.95 32.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 82.0 mt -86.92 152.51 53.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.336 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 m120 63.63 27.35 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 63.37 48.18 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m-70 -132.47 159.02 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 64' ' ' LYS . 54.4 mt -145.01 138.73 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.23 -167.73 12.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 61' ' ' CYS . 8.6 tt -110.69 164.17 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 111.087 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 p -136.4 109.88 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 16.9 p90 -150.63 173.15 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 15.3 mt -120.53 102.29 45.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.89 121.43 8.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -90.29 -24.43 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' N ' HD11 ' A' ' 29' ' ' LEU . 21.6 mt-10 -118.99 165.68 13.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 103' ' ' VAL . 31.2 m -114.67 138.37 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.92 -136.41 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -105.63 99.31 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -89.68 125.07 35.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.2 mt -94.86 118.53 31.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.6 HG12 HD11 ' A' ' 87' ' ' ILE . 11.8 t -98.6 114.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -84.84 106.96 16.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.6 HD11 HG12 ' A' ' 85' ' ' VAL . 8.3 mm -116.1 118.1 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HE2' ' NE2' ' A' ' 93' ' ' HIS . 19.1 mttt -134.3 171.04 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -125.47 104.42 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 62.24 28.63 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.37 17.29 40.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -130.21 103.35 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 88' ' ' LYS . 17.3 m-70 -38.85 146.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 87' ' ' ILE . 28.4 m -111.07 176.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.9 144.51 56.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.8 m-80 67.88 29.18 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.552 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 48.4 t -133.65 142.64 44.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.615 0.721 . . . . 0.0 110.935 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.8 146.43 82.24 Favored 'Cis proline' 0 C--N 1.341 0.134 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.274 0.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 96' ' ' ASN . 12.9 t -82.63 117.73 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -85.46 129.88 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.4 mt -126.78 148.17 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 tpt -104.17 124.31 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG12 HG12 ' A' ' 80' ' ' VAL . 58.4 t -116.84 130.76 71.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.5 m -137.78 146.4 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -82.5 118.99 23.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.7 t -75.13 150.75 38.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -98.66 30.91 3.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.416 ' H ' HG23 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -40.46 -28.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -114.99 126.86 7.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.93 -48.52 10.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.759 0.314 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.0 p -99.75 165.82 11.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.3 155.29 16.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.439 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.8 19.98 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.417 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.3 p -42.71 -48.85 5.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.4 m -79.91 84.59 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -105.42 -46.3 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -65.21 -50.6 65.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 173.22 3.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -158.9 131.49 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -118.78 -45.09 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.64 121.23 6.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.7 pp -81.03 150.37 68.46 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.646 0.736 . . . . 0.0 111.088 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.78 135.41 8.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.1 p -122.42 141.76 35.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.32 18.31 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -59.51 135.62 57.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.9 p -62.15 -50.33 72.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.6 139.19 48.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -88.91 -56.0 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 17' ' ' ILE . 11.5 mm -85.38 144.56 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.109 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.6 p -45.23 153.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -120.48 44.69 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.34 158.5 20.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -92.59 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 22' ' ' ARG . 13.4 mtp-105 -85.97 131.45 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -122.85 94.76 4.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -144.46 137.05 26.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.6 m -90.32 149.96 22.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -116.59 122.62 45.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -129.39 154.96 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -100.35 127.65 46.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD11 ' N ' ' A' ' 79' ' ' GLU . 10.0 tp -73.2 147.67 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.07 18.63 57.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.449 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.3 m -141.81 119.1 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.22 124.66 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.39 153.76 47.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 152.76 19.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 101' ' ' ILE . 26.5 m-85 -133.28 123.71 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 66' ' ' LEU . 5.1 tp -91.54 108.84 20.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.8 pt? -120.14 136.37 54.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.38 96.96 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 pt -125.17 130.06 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.0 m -80.95 44.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.624 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.8 mp0 -137.74 115.03 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -88.11 -63.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 46' ' ' SER . 4.6 m-20 -38.72 103.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mp -68.47 -57.87 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.0 m -50.41 -41.92 52.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . 2.7 m -57.78 -29.1 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 94' ' ' VAL . 97.1 mt -93.5 173.61 7.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -124.26 154.62 39.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.05 119.91 28.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -151.87 137.95 18.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 85' ' ' VAL . 70.7 mt -140.98 142.44 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 1.5 tppt? -140.44 131.96 27.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.858 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -73.39 168.87 21.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.708 . . . . 0.0 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.858 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.6 Cg_endo -69.85 -13.72 34.83 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -98.22 11.08 39.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 75.48 25.16 68.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -105.56 108.86 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 146.27 54.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -126.97 143.81 48.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.74 0.781 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 111.43 2.81 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.614 ' HB2' HD11 ' A' ' 73' ' ' ILE . 15.5 p -112.49 151.93 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -144.98 128.73 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 mt -95.09 136.08 35.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' ILE . 22.4 pttt -144.66 166.85 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 114.66 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HD12 ' A' ' 36' ' ' LEU . 16.9 mt -69.75 151.35 96.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.3 9.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.617 2.211 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.523 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 17.1 m120 -74.78 59.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' C ' ' O ' ' A' ' 68' ' ' ASN . 7.5 m120 33.24 47.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 68' ' ' ASN . 34.0 m-70 -147.01 179.56 7.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 64' ' ' LYS . 47.3 mt -146.89 127.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.82 -164.82 11.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.456 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 61' ' ' CYS . 5.8 tt -120.59 157.34 23.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.3 t -133.26 109.88 9.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 8.6 p90 -146.6 159.99 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 59.1 mt -105.85 105.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.629 0.728 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 126.99 13.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -97.82 -5.12 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.624 ' N ' HD11 ' A' ' 29' ' ' LEU . 37.4 mt-10 -145.12 165.95 26.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 105' ' ' GLN . 28.1 m -114.01 138.53 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.45 -134.95 5.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.81 104.88 14.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -96.36 131.97 42.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -103.6 118.32 36.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 87' ' ' ILE . 38.5 t -98.71 117.27 43.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 m -85.52 109.95 18.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.742 HD11 HG12 ' A' ' 85' ' ' VAL . 20.1 mm -119.33 112.57 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -128.17 172.27 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -127.39 105.83 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 62.88 25.56 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.05 16.02 36.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 93' ' ' HIS . 20.3 m-80 -130.88 102.66 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 92' ' ' ASN . 14.3 m-70 -34.48 144.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.777 HG11 HD22 ' A' ' 47' ' ' LEU . 25.6 m -105.43 178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.57 147.58 52.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.409 ' O ' HG22 ' A' ' 99' ' ' VAL . 65.5 m-80 63.04 27.94 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.557 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 31.1 t -129.83 144.03 51.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 110.815 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 97' ' ' SER . 54.3 Cg_endo -69.77 153.02 92.84 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 96' ' ' ASN . 18.6 t -85.44 121.26 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.9 m -88.44 122.59 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.605 HG21 ' CE2' ' A' ' 35' ' ' PHE . 46.4 mt -124.41 141.51 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.6 tpp -99.46 120.37 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.62 138.01 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.05 161.55 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.531 ' HG2' HG11 ' A' ' 80' ' ' VAL . 6.6 mm-40 -91.07 106.51 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 p -39.02 147.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -90.73 41.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 109' ' ' GLY . 2.4 pp -55.79 -32.33 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 108' ' ' ILE . . . 144.48 -130.6 4.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.06 114.51 28.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -95.81 75.53 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.32 -159.39 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 121.4 8.1 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.763 2.309 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 m -141.02 151.54 44.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 85.9 p -107.89 144.62 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -151.15 138.4 19.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p -158.18 156.81 31.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.59 -143.24 3.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.559 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -109.99 148.7 31.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.754 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -79.82 -58.98 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.77 82.78 0.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.727 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -58.81 142.96 83.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.688 0.756 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.99 11.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.276 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.76 -172.71 43.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 t -130.32 83.02 64.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.47 16.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.622 2.215 . . . . 0.0 112.393 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -43.99 136.86 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.0 m -50.38 122.38 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.71 131.94 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -109.15 134.38 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.24 161.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -54.48 110.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -40.64 134.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.2 179.07 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -100.55 33.86 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -70.22 148.83 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -104.02 38.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -129.7 179.76 5.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.7 m -98.2 124.42 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -112.08 131.37 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 33' ' ' ALA . 1.6 t -134.68 160.3 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -93.97 118.68 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.9 126.62 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.64 9.36 61.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -135.13 162.54 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.98 110.0 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 27' ' ' VAL . . . -111.61 148.51 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -96.05 145.27 25.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 75' ' ' PHE . 85.8 m-85 -120.9 113.54 20.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.24 111.93 20.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.2 133.3 48.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.94 101.93 13.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 41' ' ' GLU . 5.7 pt -129.89 137.89 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -78.31 46.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.79 ' HB3' HD11 ' A' ' 47' ' ' LEU . 17.2 mt-10 -132.5 121.99 24.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASP . 62.9 m -99.44 -72.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -36.15 108.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 65' ' ' ARG . 4.3 mp -73.84 -59.72 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 p -47.04 -42.03 17.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -57.96 -33.51 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 41' ' ' GLU . 67.1 mt -89.03 165.92 14.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.39 152.26 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.13 117.36 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -152.64 141.69 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG12 HG13 ' A' ' 85' ' ' VAL . 64.1 mt -145.46 136.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -137.14 129.67 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.824 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -70.82 168.45 20.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.824 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 53.3 Cg_endo -69.8 -13.36 34.45 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -98.43 11.39 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' C ' ' HD2' ' A' ' 52' ' ' LYS . . . 74.4 24.66 72.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.78 109.25 20.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 150.74 46.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -130.44 144.52 53.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.83 3.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -119.53 140.2 50.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -138.78 122.29 17.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 62' ' ' LEU . 14.5 mt -82.33 133.46 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -145.05 158.28 43.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HD3' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -85.1 134.29 34.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.9 mt -104.01 154.73 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.04 36.04 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.674 2.249 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.5 m-20 72.95 33.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 55.79 41.3 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 68' ' ' ASN . 7.1 m-70 -127.03 168.36 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.2 mt -143.49 148.58 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.82 162.75 31.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 61' ' ' CYS . 10.8 tt -104.46 152.33 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.78 0.324 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -126.79 126.58 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.733 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 19.3 p90 -158.5 153.67 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.4 mt -101.94 105.35 41.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 119.63 6.55 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.267 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.05 -31.52 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -115.91 178.87 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 103' ' ' VAL . 23.2 m -125.11 141.38 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.54 -138.89 7.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -103.21 99.63 9.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -89.77 142.02 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.0 116.55 28.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.994 HG12 HD11 ' A' ' 87' ' ' ILE . 19.8 t -92.94 112.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.681 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -81.49 109.8 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.994 HD11 HG12 ' A' ' 85' ' ' VAL . 12.1 mm -122.67 114.96 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -129.52 174.89 9.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -128.44 106.46 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 60.88 26.0 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.94 15.55 38.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 93' ' ' HIS . 14.0 m-80 -130.53 102.43 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 92' ' ' ASN . 20.1 m-70 -34.62 143.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 87' ' ' ILE . 29.7 m -103.32 -177.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.68 145.42 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 65.35 25.01 12.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.563 ' HA ' ' C ' ' A' ' 98' ' ' PRO . 18.1 t -127.68 145.14 53.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 97' ' ' SER . 52.8 Cg_endo -69.84 147.93 85.83 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.331 0.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.07 129.7 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.4 p -90.73 122.83 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 35' ' ' PHE . 97.9 mt -125.81 146.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.0 tpt -108.87 127.13 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.447 HG12 HG12 ' A' ' 80' ' ' VAL . 44.4 t -120.2 141.02 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 m -154.21 156.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 129.0 35.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.9 p -78.98 -43.44 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.36 124.66 50.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.6 mt -42.69 -58.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.87 85.47 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -84.33 131.31 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 p -85.91 159.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.93 -157.81 8.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 101.28 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.341 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -57.33 155.71 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.4 t -162.67 133.85 4.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.433 179.982 . . . . . . . . 0 0 . 1 stop_ save_