data_2dlp_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 2dlp _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 ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -134.06 124.19 25.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.29 150.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.36 142.3 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . . . -71.8 126.58 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 16.1 mt -86.51 -30.2 22.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.453 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.7 ptp180 -141.22 159.24 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 p -72.81 127.17 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -117.63 79.4 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.67 126.37 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.0 p -125.96 141.44 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.19 30.03 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -137.18 170.82 15.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.6 m -93.26 -42.01 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -51.4 -45.06 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.18 175.06 10.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.86 140.2 48.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -113.12 119.6 38.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.0 p90 -150.94 168.32 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -108.78 177.89 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 14' ' ' LEU . 23.8 ttp180 -70.25 111.59 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.12 -30.07 6.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -58.75 106.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 33' ' ' ILE . 4.3 tt -60.58 134.41 57.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG23 ' CE1' ' A' ' 57' ' ' PHE . 25.7 mt -109.9 103.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -62.85 126.5 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.34 107.58 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.9 mt -84.34 153.63 62.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.697 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.04 6.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 41' ' ' LEU . 4.9 p -128.32 145.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -58.85 5.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.56 143.82 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 38' ' ' VAL . 16.3 mt -126.85 -177.34 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.99 160.01 27.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.82 -27.93 3.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -90.39 146.26 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.404 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 15.8 mm100 -124.5 156.42 37.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -129.07 125.6 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.54 -177.36 43.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m -115.82 146.99 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.831 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.05 29.15 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.66 -69.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -134.41 -31.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -96.24 148.47 22.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.8 p -122.05 135.64 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.02 -179.71 34.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.39 115.16 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.509 ' CE1' HG23 ' A' ' 33' ' ' ILE . 17.9 p90 -112.27 153.37 44.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.23 49.91 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -90.78 22.67 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -113.98 1.76 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.453 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.3 pt -128.23 10.27 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.08 145.9 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -124.52 150.47 64.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 146.29 59.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.52 146.36 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.89 154.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -144.56 119.78 10.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.935 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.4 143.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 tt -103.55 162.97 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.552 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -83.1 136.51 34.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.33 -28.39 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -140.24 146.28 38.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -61.92 104.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -94.86 90.97 6.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -97.66 118.85 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -97.52 178.19 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -119.28 -14.0 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -117.28 174.58 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -88.24 -34.73 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -45.81 -49.97 14.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.07 160.96 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 43.1 tp -94.04 139.48 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -116.67 122.98 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 9.5 p90 -147.44 165.08 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -103.99 178.51 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -70.62 111.83 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.17 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 102.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 32' ' ' LEU . 8.8 tt -52.72 140.32 24.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD11 ' CE2' ' A' ' 27' ' ' PHE . 18.8 mt -120.1 102.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 135.49 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.0 mm? -80.98 105.46 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -79.73 150.26 72.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.22 7.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.82 138.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -129.41 160.01 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.99 164.36 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.81 157.13 67.18 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.33 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.21 13.6 8.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -121.39 146.05 47.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.278 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 39.2 mt-30 -124.98 142.25 51.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -124.2 108.32 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.83 -174.86 29.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -117.11 153.14 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.0 -38.6 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 51.55 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.32 -38.12 3.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 18.2 ptp180 -99.46 138.75 36.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.6 p -121.26 155.74 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -177.36 179.53 48.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 56' ' ' LEU . 4.4 mm? -88.81 129.99 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 47.2 p90 -140.67 148.6 53.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.66 43.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.2 34.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -124.57 3.56 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 13.9 pt -126.29 23.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.03 148.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -121.76 151.83 58.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.77 51.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.4 167.55 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.35 153.97 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 111.074 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 67' ' ' ALA . 10.7 m-85 -136.3 130.48 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.16 150.06 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 tt -110.07 157.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.22 124.57 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.79 -29.13 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -135.47 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 p -91.17 90.3 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -81.66 99.9 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 p -118.88 148.42 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -108.75 19.56 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -130.06 120.74 25.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.45 -46.02 18.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -40.43 -44.64 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.43 -176.8 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.29 137.8 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 t -109.09 125.92 52.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 33' ' ' ILE . 5.9 p90 -150.88 149.71 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -97.6 162.58 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -53.65 141.97 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.18 -30.19 4.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 102.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.05 119.7 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.54 HD11 ' CE2' ' A' ' 27' ' ' PHE . 28.4 mt -92.62 113.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.93 132.27 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.23 118.0 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.75 147.82 34.86 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.523 0.677 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.319 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 ' CD2' ' A' ' 41' ' ' LEU . 2.2 p -124.67 153.93 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -86.38 -46.46 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -133.57 130.83 38.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.425 ' CD2' HG11 ' A' ' 38' ' ' VAL . 38.9 mt -123.58 171.23 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.06 156.58 46.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.83 3.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.71 -3.31 86.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -101.5 167.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 48.6 mt-30 -143.01 132.32 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -105.4 118.19 35.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.55 -174.88 26.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -127.82 119.13 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.96 96.85 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.37 65.5 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.61 32.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 15.7 mtm105 -141.01 164.21 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -136.88 133.44 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.33 -171.58 34.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 136.34 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 p90 -135.71 151.31 74.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.735 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.28 39.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.08 32.03 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.26 -24.66 6.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.9 20.92 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -136.49 150.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.11 150.26 62.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.77 55.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.27 177.82 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.92 139.65 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.681 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -139.38 121.29 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -117.85 142.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -105.55 154.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.8 133.76 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.42 -31.0 17.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -129.48 174.58 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 m -92.11 104.18 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.51 91.49 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.4 121.29 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 146.06 51.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 26.93 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.44 158.85 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.74 -56.53 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -41.49 -44.2 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 176.04 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -119.07 139.15 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -112.13 126.96 55.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -150.08 167.73 25.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -105.11 155.59 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 ptt85 -59.4 136.04 57.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.08 -23.83 32.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -63.38 133.11 53.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 tp -82.26 111.48 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mt -83.2 120.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -79.86 124.79 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.62 84.46 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.91 152.42 69.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 103.12 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.4 p -111.03 128.76 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.12 -48.58 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -158.12 148.62 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 10.4 mt -131.85 175.51 9.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -91.66 156.87 42.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.65 -22.58 6.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -97.8 150.79 20.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -126.63 144.09 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 68.8 t80 -112.68 129.66 56.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.04 -169.9 37.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -122.3 152.35 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.29 125.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.79 47.72 46.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.09 38.65 56.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -152.47 168.93 23.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 p -134.63 155.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.71 -169.43 39.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.74 134.44 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -131.42 152.53 80.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.665 0.745 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.73 22.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.24 8.3 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.3 -4.32 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.4 m -112.83 149.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -123.31 153.3 65.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.07 66.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.62 136.15 27.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.6 114.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.094 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' CD1' HD22 ' A' ' 32' ' ' LEU . 11.4 m-85 -142.22 132.6 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.1 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 30' ' ' GLY . 13.8 tt -107.0 157.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -83.32 123.26 29.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.42 -46.87 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -130.43 158.61 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 p -60.62 157.26 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 6.3 t80 -145.78 123.79 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -116.73 124.32 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 p -119.03 154.68 32.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -117.34 27.6 8.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.3 150.25 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 p -69.93 -40.61 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -53.93 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' CD2' ' CH2' ' A' ' 45' ' ' TRP . 49.0 mt -73.27 -179.63 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 tp -122.09 138.07 54.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 p -107.08 141.22 38.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 5.9 p90 -171.47 166.55 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -114.01 179.84 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -65.68 139.43 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' CG1' ' A' ' 12' ' ' ILE . . . 96.32 -49.15 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -44.49 123.98 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 10' ' ' TYR . 5.6 tp -90.48 126.56 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 HG23 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -95.0 123.44 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.91 131.59 39.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.56 91.86 5.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -74.51 151.25 87.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.69 143.43 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -59.05 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 t -128.62 151.21 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -139.06 -177.71 5.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.29 153.71 37.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 85.99 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.48 21.37 4.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.417 ' CH2' ' CD2' ' A' ' 24' ' ' LEU . 73.6 m95 -130.63 148.78 52.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -122.81 136.35 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -108.34 120.47 42.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.47 178.78 40.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -115.86 141.13 48.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.12 118.99 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.07 -77.46 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.9 30.44 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -144.99 157.16 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -123.38 129.5 51.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.71 -158.57 9.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 mt -124.0 132.19 53.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' CE1' HG23 ' A' ' 33' ' ' ILE . 7.4 p90 -131.3 153.17 81.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.676 0.751 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.17 37.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.22 28.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.23 -38.95 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 4.0 pt -90.57 16.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.67 143.33 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -122.33 152.62 61.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.09 53.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.745 2.296 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.44 151.81 47.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 134.77 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -134.02 121.77 22.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -118.98 139.51 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.75 151.34 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.23 122.97 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.05 -29.86 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -132.04 -177.03 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -98.2 125.7 43.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.55 80.66 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.4 mm -88.7 114.08 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -143.9 143.36 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -99.56 37.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -123.46 125.29 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.4 m -58.94 -43.29 91.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -46.95 -44.49 20.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.8 mt -89.45 168.43 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.0 tp -101.79 129.89 48.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.8 p -97.17 97.78 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 3.8 p90 -132.75 158.26 42.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -104.42 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.35 132.89 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.71 -33.59 5.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.24 101.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.02 112.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 HD11 ' CE2' ' A' ' 27' ' ' PHE . 26.5 mt -83.37 118.17 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -76.58 122.78 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.9 119.87 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.14 147.13 32.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.18 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.301 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 41' ' ' LEU . 2.7 p -124.38 138.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -124.51 145.47 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 38' ' ' VAL . 13.6 mt -128.13 172.88 10.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.01 160.64 54.79 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 100.39 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.24 31.19 10.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -134.27 159.48 40.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.733 0.301 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -135.57 135.71 40.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -111.39 120.06 40.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.0 -173.95 34.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -114.04 137.07 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.91 69.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.98 46.4 1.47 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.27 -31.27 3.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -97.01 138.62 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -109.02 151.2 26.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.1 178.71 41.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 107.59 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -111.31 152.66 44.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.94 31.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -118.77 6.31 11.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 pt -133.14 15.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -133.05 147.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.35 151.75 51.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 147.3 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.99 154.05 41.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.41 136.66 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 9.6 m-85 -146.34 121.36 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.46 140.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 tt -103.26 141.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.17 150.83 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -110.6 -33.25 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 4.9 ptp180 -124.8 166.86 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -84.74 126.17 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -118.27 98.28 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -102.78 125.34 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.74 155.62 45.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -112.68 36.82 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -128.28 155.33 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.1 p -87.15 -17.15 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -81.24 -40.91 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.27 177.11 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -119.52 135.58 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -108.81 126.85 53.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -153.61 174.02 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -109.71 -175.25 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.9 137.98 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.14 -7.32 81.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.04 121.09 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.48 119.09 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG23 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -96.54 120.78 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -77.27 135.86 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.67 107.8 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.57 155.94 73.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.3 p -125.2 153.79 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -88.69 -57.15 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -119.88 143.73 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.08 173.9 11.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.41 151.11 37.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.56 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.88 10.21 3.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -121.7 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 41.2 mt-30 -146.7 131.73 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -103.76 123.67 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.9 33.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t -135.67 132.95 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.28 111.36 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.5 -77.35 2.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.07 17.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -123.48 148.05 46.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -118.34 134.13 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.4 162.48 24.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 157.26 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG23 ' A' ' 33' ' ' ILE . 45.6 p90 -151.5 152.53 30.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.4 14.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.37 10.99 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -96.97 5.08 51.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 8.0 pt -125.84 0.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.36 155.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -119.91 150.24 50.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.44 170.33 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.23 140.65 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -143.48 137.36 28.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.945 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.13 149.65 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.421 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 18.7 tt -107.91 155.4 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -77.76 133.86 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 61' ' ' ILE . 65.8 mt -94.5 -37.05 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -132.11 157.11 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 88.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -71.65 72.72 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.32 112.73 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -116.92 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.31 20.08 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -132.53 155.96 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.99 -48.41 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -41.19 -39.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.9 mt -89.77 172.15 9.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 tp -107.49 141.34 39.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -115.16 107.42 15.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 33' ' ' ILE . 4.8 p90 -139.13 167.7 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -113.06 151.52 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -49.28 127.99 15.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 12' ' ' ILE . . . 103.67 -19.13 45.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.05 120.69 15.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.48 111.81 8.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 27' ' ' PHE . 22.1 mt -87.75 115.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -78.01 124.11 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 mt -73.61 111.19 8.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.56 153.88 55.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 107.84 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 39' ' ' ALA . 1.7 p -122.29 138.8 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.464 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -54.59 -54.53 40.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 t -153.17 161.26 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 38' ' ' VAL . 13.5 mt -150.74 179.84 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -93.58 159.06 35.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.38 6.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.03 19.33 3.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -135.73 162.53 32.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.704 0.288 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' PHE . 9.7 mm100 -143.2 152.84 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -128.99 114.03 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.16 178.03 38.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 p -111.48 140.3 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.94 124.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.91 99.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.62 23.44 67.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -127.54 159.69 33.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.7 m -134.07 145.59 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.41 46.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.1 mm? -104.71 141.99 35.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLN . 10.3 p90 -148.44 149.66 32.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.736 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.11 34.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.5 23.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -108.26 -20.53 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 15.6 pt -102.62 19.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.9 152.6 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -134.38 150.68 74.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.95 49.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.62 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -174.67 169.03 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' CD1' HD21 ' A' ' 32' ' ' LEU . 25.0 m-85 -134.21 133.48 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.27 140.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 tt -104.95 152.7 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -83.32 135.87 34.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -92.29 -19.58 22.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 1.7 ptp180 -143.05 166.15 25.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 100.41 10.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -84.48 81.31 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.81 107.48 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.98 146.15 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -94.92 21.11 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -109.44 105.14 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -22.72 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -72.24 -43.76 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.4 169.66 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 22.6 tp -100.98 125.15 47.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 p -104.27 125.9 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.6 p90 -147.49 156.06 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -88.43 175.44 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -75.53 103.47 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 22.73 6.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.51 95.8 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 10' ' ' TYR . 57.5 tp -42.67 124.24 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -103.37 116.62 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -72.86 122.68 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.99 121.15 19.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.53 144.34 28.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.99 139.34 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.94 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 t -125.29 157.38 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.8 mt -145.25 166.54 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -95.86 157.53 35.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.95 1.19 19.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.42 ' CE3' ' HB3' ' A' ' 56' ' ' LEU . 86.6 m95 -111.15 156.05 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 59' ' ' ALA . 35.0 mt-30 -134.71 145.29 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -122.78 117.52 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.29 -167.03 21.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.5 p -139.34 128.53 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 77.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.25 54.98 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.57 -90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -118.12 173.5 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -149.65 174.75 29.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 56' ' ' LEU . 3.7 mm? -91.19 116.84 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -126.27 151.48 72.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.742 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' CB ' ' HG3' ' A' ' 46' ' ' GLN . . . -83.6 37.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -119.52 -27.93 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 14.8 pt -96.14 18.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.47 156.67 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.74 151.09 73.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.08 49.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.25 135.97 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.39 118.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -140.97 121.15 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 m -123.36 140.4 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -102.1 149.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -72.97 134.92 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.3 mt -90.55 -32.94 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -132.8 158.44 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 p -78.38 97.79 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -83.93 87.31 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -92.39 130.1 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -130.58 -179.62 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -124.75 0.56 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.37 158.02 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' SER . 28.5 t -77.95 -50.8 11.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' CYS . 63.5 p -35.57 -50.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.47 146.37 38.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.37 125.87 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -95.9 118.17 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 7.8 p90 -147.69 151.22 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -94.8 179.34 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -72.52 112.64 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.92 -32.0 5.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.5 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.62 111.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -78.56 115.73 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -77.71 121.72 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.1 mm? -70.62 113.29 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.91 149.35 35.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 103.53 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 41' ' ' LEU . 4.1 p -111.83 147.95 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.42 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -131.56 152.77 50.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 38' ' ' VAL . 11.3 mt -139.16 168.32 20.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.86 160.48 58.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.07 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.68 19.2 5.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -117.8 172.37 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 57' ' ' PHE . 29.1 mt-30 -148.52 138.39 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -118.89 123.07 43.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.29 -167.8 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -120.34 135.13 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.16 44.98 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.04 -49.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.57 -30.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 8.7 ttm105 -103.19 155.43 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p -115.39 118.68 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.11 -166.46 11.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.88 140.23 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.779 0.324 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CZ ' ' CB ' ' A' ' 46' ' ' GLN . 41.4 p90 -150.97 149.3 24.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 138.81 38.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.99 33.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.64 8.27 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 pt -132.02 20.17 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -137.13 142.35 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 14.2 pt20 -114.55 151.93 45.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.98 66.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.01 133.85 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.55 111.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.089 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.7 130.98 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.35 144.22 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 tt -103.28 157.76 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -86.53 115.28 23.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.74 -33.16 68.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -135.27 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 m -87.11 111.87 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 10.9 t80 -103.65 92.78 4.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.08 134.15 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 p -121.21 158.99 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.66 24.56 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -127.07 149.48 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -88.42 36.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 m -134.76 -34.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.09 -178.35 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 55.6 tp -112.75 135.63 53.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 p -116.56 117.59 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 6.0 p90 -141.42 160.79 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -107.53 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -61.36 143.32 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.83 -24.52 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.01 101.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.98 125.74 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 mt -100.1 133.74 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -89.57 129.75 35.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.84 96.1 9.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.05 152.61 93.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.6 p -131.54 150.33 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -89.78 -53.36 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.3 t -119.67 140.26 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -132.12 175.64 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.94 160.75 29.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.97 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.76 28.12 10.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -133.31 154.33 50.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -130.23 144.3 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -115.24 117.17 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.84 -169.75 24.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.5 p -130.36 133.19 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.01 131.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 35.73 92.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 10.37 70.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -120.97 150.2 41.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.3 p -121.29 140.64 51.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -175.36 -158.11 18.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -123.27 133.89 54.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -137.81 151.37 70.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.99 29.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.79 -0.23 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 8.4 pt -126.03 18.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.98 143.46 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -117.22 149.3 44.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.78 61.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.94 169.89 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 132.84 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' C ' HG12 ' A' ' 11' ' ' VAL . 44.2 m-85 -136.93 143.45 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.416 HG12 ' C ' ' A' ' 10' ' ' TYR . 35.3 m -147.37 140.94 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 tt -105.37 147.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.25 122.9 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.34 -30.13 47.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -127.83 167.23 16.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -85.98 120.7 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -110.56 91.29 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.22 126.34 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -132.98 157.51 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -104.66 22.31 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.34 157.4 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.05 -54.67 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -40.96 -41.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.44 160.67 23.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.7 tp -101.19 124.33 46.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 m -96.48 112.83 24.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -135.88 -177.18 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -131.95 163.61 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -52.81 122.38 9.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.87 31.5 12.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.18 78.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -39.17 115.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -96.09 105.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -61.54 123.58 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.45 105.54 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.74 153.04 85.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 100.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 39' ' ' ALA . 11.8 p -114.93 149.24 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -82.54 -55.69 4.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -120.32 150.47 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' HG13 ' A' ' 38' ' ' VAL . 12.7 mt -147.68 170.1 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 154.55 56.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.75 11.13 15.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -117.58 163.75 15.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -139.66 140.17 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.529 ' CD1' HD11 ' A' ' 56' ' ' LEU . 35.6 t80 -115.46 124.87 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.59 39.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 p -127.15 133.37 50.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 51.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.76 63.97 2.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.98 -51.05 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -117.05 161.95 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.9 p -133.57 170.93 14.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.07 166.74 11.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' A' ' 47' ' ' PHE . 8.8 mp -83.17 156.9 22.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CE1' HG21 ' A' ' 33' ' ' ILE . 35.7 p90 -152.81 152.71 28.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.28 19.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.06 19.7 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.12 -34.69 9.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 pt -86.26 -6.27 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.77 175.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -145.91 151.87 46.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.11 49.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.12 164.31 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.57 129.02 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.097 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -145.42 122.77 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -127.91 142.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -101.94 151.07 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 104.44 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.49 -35.15 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 2.5 ptm85 -124.65 -175.2 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 p -104.35 109.57 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -99.46 93.99 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mm -107.38 121.23 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 130.37 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.63 -25.5 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.62 147.24 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.87 -37.57 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -53.95 -49.92 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.46 -179.9 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -112.73 130.81 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -102.88 129.0 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -102.21 -176.91 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -76.19 141.13 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.92 12.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.65 97.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tt -49.64 127.67 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -106.82 118.52 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -80.22 136.41 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.46 105.04 16.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.04 154.28 92.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.83 4.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.623 2.216 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.22 149.38 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.03 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.3 t -154.91 153.73 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.09 176.97 8.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.82 158.86 67.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 87.91 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.13 -22.41 5.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.8 151.81 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.723 0.297 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -130.63 155.42 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -122.31 124.32 43.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.57 -167.35 31.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -132.79 159.1 40.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.52 107.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.23 -47.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -24.93 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -105.0 148.17 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -114.43 142.64 46.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.12 -159.82 16.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.59 143.13 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -148.64 148.76 29.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.81 28.9 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.73 20.32 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.0 -37.45 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.68 2.09 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.14 167.4 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -141.82 151.95 61.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 144.39 53.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.66 160.74 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 134.19 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -123.36 133.47 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.17 146.41 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 tt -105.56 154.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.11 109.07 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.26 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -144.76 154.58 42.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -60.28 148.39 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 40.6 t80 -134.18 70.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mm -69.59 126.77 30.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -121.29 130.07 53.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -74.35 -4.88 39.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 t-20 -119.24 105.22 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.9 p -37.41 -36.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -57.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -65.55 -177.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.6 tp -108.49 125.44 51.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -104.2 118.19 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 1.8 p90 -141.08 172.25 12.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -118.93 172.41 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -59.88 114.95 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.02 -39.15 3.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.88 98.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.93 140.93 58.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.57 139.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.55 114.99 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.8 125.26 24.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.4 mt -107.09 148.64 37.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.74 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 41' ' ' LEU . 7.5 p -117.31 133.87 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.75 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 t -126.27 162.5 25.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 38' ' ' VAL . 13.5 mt -150.7 179.32 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.65 154.76 37.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.68 11.09 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -120.61 158.84 26.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -135.35 142.74 45.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -114.86 124.12 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.0 175.14 44.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 t -107.16 132.68 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.0 131.99 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.56 62.1 6.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.49 35.18 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -149.18 157.08 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -121.39 153.55 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.22 -169.06 42.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.98 145.19 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -145.75 147.84 34.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.24 14.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 49.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.58 -31.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 pt -98.02 22.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.3 142.35 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 1.8 pp0? -117.95 149.36 45.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 54.3 Cg_endo -69.78 142.3 47.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.01 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.77 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 111.095 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 34' ' ' LYS . 10.5 m-85 -133.9 126.35 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 110.908 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.48 143.48 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 tt -104.02 157.11 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -85.45 111.32 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.42 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -140.48 160.29 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 p -71.58 129.79 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 5.0 t80 -114.55 90.54 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.7 mm -92.45 114.62 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.0 p -116.22 168.38 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -128.79 28.19 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -145.12 121.07 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.7 p -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 m -44.31 -48.81 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.49 177.08 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 tp -114.63 132.62 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -104.33 101.41 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 33' ' ' ILE . 6.4 p90 -129.39 164.69 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -105.75 178.6 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -70.37 144.15 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.28 -32.26 2.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -54.73 96.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 1.9 tt -53.46 123.05 10.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 27' ' ' PHE . 11.9 mt -100.32 121.96 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -85.81 140.05 30.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.24 105.2 17.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.92 154.29 94.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.51 3.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.18 157.19 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.18 -62.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 135.19 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -132.04 166.05 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.14 152.37 55.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.48 8.0 41.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -118.05 166.99 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.41 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.1 mm-40 -140.25 147.3 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -121.41 113.21 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -175.92 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 t -129.89 141.26 50.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.24 48.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 79.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.98 -48.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 4.7 ptp180 -151.4 154.34 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -108.0 152.01 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.66 -176.35 42.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.29 108.01 18.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -110.51 150.09 41.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.06 64.3 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 46' ' ' GLN . . . -95.45 28.82 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.89 -15.07 12.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 11.3 pt -112.16 18.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.9 m -135.87 151.45 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 1.8 pp0? -126.93 149.27 68.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 53.7 Cg_endo -69.71 142.44 48.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.76 176.86 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.23 147.8 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 111.045 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -135.09 134.46 40.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 m -131.85 148.0 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.31 145.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.14 124.42 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 8.5 mt -82.77 -18.45 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 154.94 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.7 p -71.41 134.88 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -125.97 108.36 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.0 mm -110.38 118.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.34 51.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.0 28.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -132.01 146.89 52.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -73.36 -46.98 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -40.16 -54.82 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.52 162.59 26.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -100.54 138.06 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.1 p -113.49 101.59 9.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 2.9 p90 -122.64 171.79 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -113.98 168.78 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 5.8 tpt180 -53.08 117.66 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.67 51.07 6.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -117.41 82.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -40.8 110.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.01 149.07 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -103.56 114.47 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.84 112.96 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -90.56 150.2 42.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 93.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -100.08 142.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.89 53.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -151.44 144.28 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -128.99 172.33 11.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.25 157.96 47.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.668 0.747 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.6 -21.35 5.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.54 154.59 17.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -137.04 131.72 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -103.86 134.12 47.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 175.38 45.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t -123.62 137.37 54.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.54 57.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.96 74.02 0.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.2 -61.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -131.29 164.96 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 p -117.96 159.17 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.84 168.37 20.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.19 159.07 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -152.99 153.27 29.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.93 13.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.43 47.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -130.0 -41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.2 pt -85.98 14.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.1 155.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -138.13 152.9 72.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 141.78 46.28 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.33 -75.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.61 138.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.72 . . . . 0.0 111.056 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' A' ' 32' ' ' LEU . 11.4 m-85 -141.62 120.33 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.405 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.95 144.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.9 tt -107.7 160.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.74 143.15 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.95 -32.65 10.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -128.42 176.86 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -88.67 122.12 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -116.11 95.75 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.86 126.69 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -110.99 178.07 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -121.02 -4.41 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -113.77 177.04 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.27 -32.09 13.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.2 m -50.6 -47.54 58.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.89 172.24 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 tp -110.7 130.51 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -96.53 117.56 31.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 1.2 p90 -148.84 148.53 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -96.17 -176.44 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -71.57 140.12 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.98 -24.35 11.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 137.63 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 10' ' ' TYR . 6.7 tp -96.84 129.89 44.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.9 mp -104.86 112.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.2 ttpt -66.69 124.87 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.45 95.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -73.59 153.61 89.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 110.99 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 41' ' ' LEU . 2.5 p -124.86 142.01 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -57.83 -53.15 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -151.16 153.73 35.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 38' ' ' VAL . 90.8 mt -137.26 170.19 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.91 163.03 21.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.7 15.44 2.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -135.72 149.74 49.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.0 162.71 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -133.65 112.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' LYS . . . -160.47 156.76 28.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -85.69 143.31 28.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.34 108.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 37.7 17.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.11 32.09 74.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -151.58 133.55 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -96.63 142.75 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.76 164.41 37.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.4 127.48 39.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.479 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.8 p90 -133.01 152.58 80.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.97 43.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.56 26.81 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.61 -28.09 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 pt -95.27 13.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -129.96 164.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -134.18 152.31 78.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.26 53.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.92 176.64 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.79 147.6 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.734 . . . . 0.0 111.075 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.42 124.63 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 tt -103.45 157.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.36 138.62 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD21 ' CG ' ' A' ' 63' ' ' GLN . 76.1 mt -93.06 -37.77 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.79 151.62 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -58.41 131.93 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -118.81 87.59 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.02 122.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.35 124.72 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.75 34.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.67 165.44 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 t -103.55 -12.1 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 p -88.9 -23.98 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.01 165.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 tp -98.76 142.21 30.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -115.26 112.53 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -133.6 167.32 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -113.98 139.06 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -38.6 145.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.35 -24.85 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 27.2 t0 -72.39 147.32 46.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 3.3 tt -100.88 128.38 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 57' ' ' PHE . 4.8 mp -98.2 100.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -54.51 126.16 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.24 94.63 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 13.3 mt -67.97 151.84 96.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.25 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 7.2 p -101.42 162.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -81.45 -51.38 8.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -148.16 148.63 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' A' ' 38' ' ' VAL . 13.6 mt -151.89 166.98 29.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.1 mm-40 -95.86 163.07 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.9 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.29 -4.39 4.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -119.6 134.56 55.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -122.48 136.34 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 36' ' ' LEU . 86.4 t80 -104.78 138.84 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.85 177.81 42.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.7 p -118.38 135.89 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.65 109.92 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.72 -43.58 2.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.05 -30.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 54' ' ' SER . 11.6 ttm180 -97.81 150.44 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 83.0 p -108.74 142.26 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.31 179.88 40.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.07 123.34 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE1' HG23 ' A' ' 33' ' ' ILE . 18.7 p90 -122.33 152.14 60.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.656 0.741 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.86 16.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.62 38.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.65 -9.86 9.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 pt -118.28 6.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.4 m -121.03 142.62 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' CG ' HD21 ' A' ' 14' ' ' LEU . 19.1 pt20 -115.87 152.94 48.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.33 50.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.43 152.61 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.84 160.0 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.066 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -146.11 132.61 19.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.27 151.52 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -109.76 150.14 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.54 132.79 42.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.2 mt -91.36 -29.77 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.07 156.1 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -74.06 103.23 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.66 90.24 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.11 118.99 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 155.81 45.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.17 -28.76 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -39.28 156.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.3 t -100.31 -4.92 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -110.35 22.25 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.4 mt -140.2 174.15 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -115.29 136.24 53.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -112.75 109.09 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -129.53 165.4 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.05 165.0 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -59.63 140.38 56.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.32 -15.04 25.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.67 111.4 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.82 132.95 53.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 20.7 mt -110.33 115.27 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -74.77 123.27 24.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.56 92.8 5.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.9 149.27 96.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.93 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 41' ' ' LEU . 7.4 p -99.29 153.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.52 -48.83 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -147.8 158.44 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.4 mt -150.43 166.85 28.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.0 mm-40 -94.82 163.05 23.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.8 Cg_endo -69.71 92.1 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.48 -27.37 5.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -87.42 151.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -135.84 140.96 44.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -113.28 132.48 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.87 174.31 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.4 t -109.11 146.04 34.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.47 74.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.99 -57.12 0.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.49 -33.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -94.83 135.72 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -112.24 127.18 55.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.75 -167.0 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.14 112.72 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CZ ' HG23 ' A' ' 33' ' ' ILE . 45.7 p90 -115.06 152.28 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.22 47.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.61 20.26 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.17 6.11 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.1 pt -130.13 10.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.38 155.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -128.86 152.43 79.01 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 143.64 51.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.12 136.97 27.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 129.33 23.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.9 123.62 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.19 146.49 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 tt -108.85 159.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -83.66 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 62' ' ' VAL . 13.3 mt -89.55 -39.91 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.2 ptp180 -128.96 160.38 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -75.59 107.3 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' A' ' 61' ' ' ILE . 13.0 t80 -98.33 79.11 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -84.64 122.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -136.48 140.53 43.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.39 35.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -123.59 157.39 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.4 m -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -42.14 -47.68 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.13 166.35 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.53 148.05 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.3 m -119.7 99.0 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.546 ' CE2' HD13 ' A' ' 33' ' ' ILE . 15.2 p90 -131.43 178.61 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -121.05 171.87 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -68.52 140.2 55.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.44 -1.37 88.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -85.45 128.99 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -76.93 117.95 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.546 HD13 ' CE2' ' A' ' 27' ' ' PHE . 32.6 mt -99.56 124.37 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.06 131.07 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.6 mt -83.32 112.15 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 153.0 68.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.724 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -113.05 155.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -61.68 -66.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -165.41 140.45 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -125.3 -173.83 2.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -80.96 161.56 62.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.31 18.06 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -136.88 157.65 46.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -143.0 154.7 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.468 ' CB ' HD23 ' A' ' 41' ' ' LEU . 89.0 t80 -124.81 124.56 42.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.73 177.87 40.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -119.27 143.38 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.87 121.84 8.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.92 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.51 -21.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -102.61 148.31 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.9 p -108.04 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.53 171.98 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.96 122.88 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.97 151.49 55.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.752 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.9 36.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.72 18.14 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -107.21 2.38 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.8 pt -129.89 19.29 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' N ' HD11 ' A' ' 14' ' ' LEU . 22.9 m -138.8 142.11 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -118.99 152.36 51.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.36 50.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.86 141.47 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.78 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 111.113 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -80.07 137.31 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.373 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -118.09 -48.13 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.78 89.02 0.18 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -47.8 -54.12 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -87.02 163.39 17.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.8 132.61 5.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -144.71 160.42 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.21 89.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -134.06 124.19 25.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.29 150.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.36 142.3 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . . . -71.8 126.58 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 16.1 mt -86.51 -30.2 22.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.7 ptp180 -141.22 159.24 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 p -72.81 127.17 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -117.63 79.4 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.67 126.37 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.0 p -125.96 141.44 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.19 30.03 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -137.18 170.82 15.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.6 m -93.26 -42.01 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -51.4 -45.06 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.18 175.06 10.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.86 140.2 48.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -113.12 119.6 38.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.0 p90 -150.94 168.32 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -108.78 177.89 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 14' ' ' LEU . 23.8 ttp180 -70.25 111.59 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.12 -30.07 6.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -58.75 106.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 33' ' ' ILE . 4.3 tt -60.58 134.41 57.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG23 ' CE1' ' A' ' 57' ' ' PHE . 25.7 mt -109.9 103.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -62.85 126.5 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.34 107.58 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.9 mt -84.34 153.63 62.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.697 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.04 6.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 41' ' ' LEU . 4.9 p -128.32 145.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -58.85 5.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.56 143.82 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 38' ' ' VAL . 16.3 mt -126.85 -177.34 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.99 160.01 27.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.82 -27.93 3.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -90.39 146.26 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.404 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 15.8 mm100 -124.5 156.42 37.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -129.07 125.6 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.54 -177.36 43.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m -115.82 146.99 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.831 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.05 29.15 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.66 -69.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -134.41 -31.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -96.24 148.47 22.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.8 p -122.05 135.64 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.02 -179.71 34.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.39 115.16 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.509 ' CE1' HG23 ' A' ' 33' ' ' ILE . 17.9 p90 -112.27 153.37 44.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.23 49.91 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -90.78 22.67 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -113.98 1.76 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.453 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.3 pt -128.23 10.27 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.08 145.9 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -124.52 150.47 64.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 146.29 59.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.52 146.36 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.89 154.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.57 144.3 45.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.37 23.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -104.21 150.08 24.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -129.0 118.69 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 t -97.49 114.23 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -41.51 154.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.6 t -168.91 151.96 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -39.38 147.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.8 94.45 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.32 152.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -86.8 142.23 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 p -79.02 162.71 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.9 116.18 6.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 m -54.69 -52.05 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.72 83.45 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.53 17.78 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t -84.74 -54.37 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 m -70.59 117.84 12.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -95.94 122.7 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -78.25 -51.78 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.01 171.53 34.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -115.55 162.09 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.71 -58.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.46 -61.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 11.4 p -92.99 -66.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 70.13 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -144.56 119.78 10.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.935 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.4 143.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.8 tt -103.55 162.97 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.552 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -83.1 136.51 34.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.33 -28.39 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -140.24 146.28 38.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -61.92 104.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -94.86 90.97 6.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -97.66 118.85 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -97.52 178.19 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -119.28 -14.0 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -117.28 174.58 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -88.24 -34.73 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -45.81 -49.97 14.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.07 160.96 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 43.1 tp -94.04 139.48 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -116.67 122.98 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 9.5 p90 -147.44 165.08 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -103.99 178.51 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -70.62 111.83 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.17 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 102.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 32' ' ' LEU . 8.8 tt -52.72 140.32 24.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD11 ' CE2' ' A' ' 27' ' ' PHE . 18.8 mt -120.1 102.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 135.49 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.0 mm? -80.98 105.46 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -79.73 150.26 72.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.22 7.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 p -133.82 138.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -129.41 160.01 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.6 mt -146.99 164.36 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.81 157.13 67.18 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.33 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.21 13.6 8.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -121.39 146.05 47.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.278 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 39.2 mt-30 -124.98 142.25 51.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -124.2 108.32 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.83 -174.86 29.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -117.11 153.14 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.0 -38.6 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 51.55 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.32 -38.12 3.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 18.2 ptp180 -99.46 138.75 36.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.6 p -121.26 155.74 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -177.36 179.53 48.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 56' ' ' LEU . 4.4 mm? -88.81 129.99 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 47.2 p90 -140.67 148.6 53.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.66 43.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.2 34.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -124.57 3.56 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 13.9 pt -126.29 23.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.03 148.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -121.76 151.83 58.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.77 51.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.4 167.55 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.35 153.97 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 8' ' ' SER . . . -73.75 152.26 89.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 53.7 Cg_endo -69.8 2.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 68' ' ' PRO . 2.4 p30 48.68 28.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -88.7 -18.97 26.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 72' ' ' PHE . 28.3 p -109.18 132.04 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 71' ' ' SER . 35.1 p90 -34.56 122.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -77.0 -177.21 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -168.85 156.1 7.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.77 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -80.69 115.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -42.56 152.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -165.88 128.79 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.4 105.46 2.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -59.92 -54.21 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.46 146.37 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.95 47.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -168.87 170.08 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 p -136.58 169.54 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -84.77 171.71 12.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 40.92 42.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.77 61.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -157.32 146.49 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -55.6 141.78 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 71.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -141.11 151.46 43.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.846 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.67 104.98 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 67' ' ' ALA . 10.7 m-85 -136.3 130.48 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.16 150.06 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 tt -110.07 157.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.22 124.57 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.79 -29.13 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -135.47 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 p -91.17 90.3 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -81.66 99.9 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 p -118.88 148.42 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -108.75 19.56 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -130.06 120.74 25.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.45 -46.02 18.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -40.43 -44.64 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.43 -176.8 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.29 137.8 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 t -109.09 125.92 52.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 33' ' ' ILE . 5.9 p90 -150.88 149.71 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -97.6 162.58 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -53.65 141.97 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.18 -30.19 4.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 102.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.05 119.7 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.54 HD11 ' CE2' ' A' ' 27' ' ' PHE . 28.4 mt -92.62 113.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.93 132.27 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.23 118.0 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.75 147.82 34.86 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.523 0.677 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.319 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 ' CD2' ' A' ' 41' ' ' LEU . 2.2 p -124.67 153.93 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -86.38 -46.46 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -133.57 130.83 38.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' CD2' HG11 ' A' ' 38' ' ' VAL . 38.9 mt -123.58 171.23 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.06 156.58 46.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.83 3.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.71 -3.31 86.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -101.5 167.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 48.6 mt-30 -143.01 132.32 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -105.4 118.19 35.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.55 -174.88 26.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -127.82 119.13 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.96 96.85 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.37 65.5 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.61 32.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 15.7 mtm105 -141.01 164.21 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -136.88 133.44 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.33 -171.58 34.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 136.34 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 p90 -135.71 151.31 74.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.735 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.28 39.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.08 32.03 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.26 -24.66 6.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.9 20.92 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -136.49 150.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.11 150.26 62.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.77 55.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.27 177.82 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.92 139.65 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 10' ' ' TYR . . . -77.77 146.38 72.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.681 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 70' ' ' PHE . 27.4 t0 -126.09 138.42 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 4.4 p90 -37.22 123.02 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 t -96.1 105.04 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.02 -59.85 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.1 p -84.04 115.73 22.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -133.6 137.84 45.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -172.27 132.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -144.23 146.37 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -87.57 133.22 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 m -78.95 133.48 36.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.54 135.73 6.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.2 m -167.91 174.77 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.8 150.86 17.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.65 2.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.3 m -144.37 161.07 39.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 m -134.89 173.62 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -42.49 104.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -65.67 158.04 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.21 49.61 0.89 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -53.38 117.52 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m -108.03 -62.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 -106.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.9 m -56.48 162.25 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.37 47.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CD2' ' HD2' ' A' ' 68' ' ' PRO . 14.0 m-85 -139.38 121.29 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -117.85 142.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -105.55 154.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.8 133.76 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.42 -31.0 17.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -129.48 174.58 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 m -92.11 104.18 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.51 91.49 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.4 121.29 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 146.06 51.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 26.93 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.44 158.85 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.74 -56.53 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -41.49 -44.2 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 176.04 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -119.07 139.15 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -112.13 126.96 55.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -150.08 167.73 25.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -105.11 155.59 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 ptt85 -59.4 136.04 57.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.08 -23.83 32.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -63.38 133.11 53.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 tp -82.26 111.48 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mt -83.2 120.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -79.86 124.79 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.62 84.46 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.91 152.42 69.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 103.12 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.4 p -111.03 128.76 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.12 -48.58 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -158.12 148.62 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' CD2' ' HB2' ' A' ' 47' ' ' PHE . 10.4 mt -131.85 175.51 9.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -91.66 156.87 42.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.65 -22.58 6.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -97.8 150.79 20.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -126.63 144.09 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 68.8 t80 -112.68 129.66 56.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.04 -169.9 37.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -122.3 152.35 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.29 125.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.79 47.72 46.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.09 38.65 56.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -152.47 168.93 23.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 p -134.63 155.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.71 -169.43 39.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.74 134.44 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -131.42 152.53 80.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.665 0.745 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.73 22.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.24 8.3 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.3 -4.32 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.4 m -112.83 149.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -123.31 153.3 65.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.07 66.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.62 136.15 27.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.6 114.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.68 145.6 69.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 54.7 Cg_endo -69.74 92.12 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.288 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.95 -177.75 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -90.72 175.11 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 p -159.67 172.79 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 73' ' ' SER . 89.2 t80 -98.65 143.63 28.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 6.2 t -104.26 162.1 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -132.7 127.3 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.31 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -88.13 131.74 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -114.65 -51.97 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 52.46 40.8 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.16 -128.28 8.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.3 t -137.59 153.68 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.7 146.09 23.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -19.58 36.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 t -52.16 135.5 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -79.65 133.53 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 61.14 42.71 11.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t 54.66 43.18 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.9 173.76 19.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -150.35 175.7 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -119.27 174.62 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.85 111.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 t 39.93 50.33 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.36 118.48 6.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.459 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' CD1' HD22 ' A' ' 32' ' ' LEU . 11.4 m-85 -142.22 132.6 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.1 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 30' ' ' GLY . 13.8 tt -107.0 157.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -83.32 123.26 29.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.42 -46.87 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -130.43 158.61 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 p -60.62 157.26 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 6.3 t80 -145.78 123.79 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -116.73 124.32 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 p -119.03 154.68 32.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -117.34 27.6 8.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.3 150.25 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 p -69.93 -40.61 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -53.93 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' CD2' ' CH2' ' A' ' 45' ' ' TRP . 49.0 mt -73.27 -179.63 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 tp -122.09 138.07 54.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 p -107.08 141.22 38.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 5.9 p90 -171.47 166.55 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -114.01 179.84 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -65.68 139.43 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' CG1' ' A' ' 12' ' ' ILE . . . 96.32 -49.15 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -44.49 123.98 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 10' ' ' TYR . 5.6 tp -90.48 126.56 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 HG23 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -95.0 123.44 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.91 131.59 39.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.56 91.86 5.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -74.51 151.25 87.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.69 143.43 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -59.05 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 t -128.62 151.21 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.3 mt -139.06 -177.71 5.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.29 153.71 37.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 85.99 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.48 21.37 4.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.417 ' CH2' ' CD2' ' A' ' 24' ' ' LEU . 73.6 m95 -130.63 148.78 52.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -122.81 136.35 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -108.34 120.47 42.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.47 178.78 40.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 t -115.86 141.13 48.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.12 118.99 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.07 -77.46 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.9 30.44 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -144.99 157.16 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -123.38 129.5 51.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.71 -158.57 9.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 mt -124.0 132.19 53.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' CE1' HG23 ' A' ' 33' ' ' ILE . 7.4 p90 -131.3 153.17 81.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.676 0.751 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.17 37.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.22 28.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.23 -38.95 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 4.0 pt -90.57 16.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.67 143.33 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -122.33 152.62 61.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.09 53.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.745 2.296 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.44 151.81 47.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 134.77 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.71 143.96 47.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 95.8 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -96.8 119.82 35.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 47.02 37.77 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -111.23 126.11 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -141.02 168.86 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 p -168.07 115.18 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -80.0 111.44 16.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -76.91 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? 45.56 52.31 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -94.83 -11.07 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t -64.14 125.69 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.08 -136.5 3.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -82.13 167.17 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.21 179.55 16.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 162.33 42.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.2 m -155.63 160.0 40.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.5 m -145.96 132.64 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.456 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -52.24 149.21 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 p -136.46 117.71 14.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.88 76.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -92.93 122.32 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -140.62 167.09 22.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.28 -164.92 34.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.4 m -88.71 131.73 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.09 100.99 0.92 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -134.02 121.77 22.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -118.98 139.51 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.75 151.34 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.23 122.97 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -80.05 -29.86 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -132.04 -177.03 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -98.2 125.7 43.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.55 80.66 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.4 mm -88.7 114.08 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -143.9 143.36 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -99.56 37.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -123.46 125.29 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.4 m -58.94 -43.29 91.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -46.95 -44.49 20.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.8 mt -89.45 168.43 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.0 tp -101.79 129.89 48.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.8 p -97.17 97.78 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 3.8 p90 -132.75 158.26 42.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -104.42 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.35 132.89 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.71 -33.59 5.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.24 101.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.02 112.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 HD11 ' CE2' ' A' ' 27' ' ' PHE . 26.5 mt -83.37 118.17 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -76.58 122.78 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.9 119.87 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.14 147.13 32.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.18 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.301 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 41' ' ' LEU . 2.7 p -124.38 138.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -124.51 145.47 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 38' ' ' VAL . 13.6 mt -128.13 172.88 10.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.01 160.64 54.79 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 100.39 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.24 31.19 10.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -134.27 159.48 40.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.733 0.301 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -135.57 135.71 40.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -111.39 120.06 40.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.0 -173.95 34.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -114.04 137.07 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.91 69.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.98 46.4 1.47 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.27 -31.27 3.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -97.01 138.62 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -109.02 151.2 26.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.1 178.71 41.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 107.59 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -111.31 152.66 44.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.94 31.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -118.77 6.31 11.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 pt -133.14 15.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -133.05 147.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -119.35 151.75 51.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 147.3 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.99 154.05 41.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.41 136.66 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.24 143.92 62.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.96 31.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -41.87 119.4 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -69.64 146.22 51.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.9 t -140.62 149.98 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.17 149.99 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -82.86 -21.65 34.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 38.84 51.4 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -117.92 111.79 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -156.08 135.35 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 51.78 44.32 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.7 p -125.01 125.34 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.1 160.99 9.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.8 p -135.11 143.9 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.6 81.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.67 9.17 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -161.14 155.83 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -101.67 174.12 6.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -160.11 169.73 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -71.4 152.66 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.29 -61.04 6.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -102.49 126.92 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 p -151.43 161.05 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.96 -126.14 17.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -85.04 -63.19 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 10' ' ' TYR . . . 110.0 115.42 3.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 9.6 m-85 -146.34 121.36 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.46 140.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 tt -103.26 141.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.17 150.83 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -110.6 -33.25 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 4.9 ptp180 -124.8 166.86 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -84.74 126.17 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -118.27 98.28 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -102.78 125.34 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.74 155.62 45.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -112.68 36.82 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -128.28 155.33 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.1 p -87.15 -17.15 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -81.24 -40.91 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.27 177.11 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -119.52 135.58 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -108.81 126.85 53.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -153.61 174.02 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -109.71 -175.25 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.9 137.98 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.14 -7.32 81.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.04 121.09 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 tt -72.48 119.09 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG23 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -96.54 120.78 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -77.27 135.86 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.67 107.8 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.57 155.94 73.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.3 p -125.2 153.79 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -88.69 -57.15 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -119.88 143.73 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.08 173.9 11.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.41 151.11 37.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.56 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.88 10.21 3.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -121.7 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 41.2 mt-30 -146.7 131.73 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -103.76 123.67 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.9 33.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t -135.67 132.95 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.28 111.36 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.5 -77.35 2.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.07 17.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -123.48 148.05 46.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -118.34 134.13 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.4 162.48 24.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 157.26 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG23 ' A' ' 33' ' ' ILE . 45.6 p90 -151.5 152.53 30.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.4 14.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.37 10.99 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -96.97 5.08 51.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 8.0 pt -125.84 0.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.36 155.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -119.91 150.24 50.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.44 170.33 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.23 140.65 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.13 148.07 62.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.71 99.41 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -48.58 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' SER . 22.0 p90 -106.88 -36.2 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 70' ' ' PHE . 75.2 m 34.66 49.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 49.05 46.41 22.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 3.2 t -87.21 93.44 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.69 144.07 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -111.33 147.85 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -46.11 121.5 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 78' ' ' SER . 8.8 ptp180 -95.35 -38.12 10.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 28.8 m 50.37 50.82 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.9 94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 155.7 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.926 0.393 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.1 146.0 6.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.81 55.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -98.22 36.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.8 t -46.24 -48.44 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.528 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -121.92 -51.96 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -101.68 40.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.88 116.69 1.53 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -135.91 149.94 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -164.29 116.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.21 117.35 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -126.7 170.46 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 117.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.626 ' CE1' ' CD ' ' A' ' 68' ' ' PRO . 18.0 m-85 -143.48 137.36 28.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.13 149.65 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.421 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 18.7 tt -107.91 155.4 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -77.76 133.86 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 61' ' ' ILE . 65.8 mt -94.5 -37.05 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -132.11 157.11 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 88.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -71.65 72.72 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.32 112.73 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -116.92 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.31 20.08 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -132.53 155.96 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.99 -48.41 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -41.19 -39.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.9 mt -89.77 172.15 9.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 tp -107.49 141.34 39.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -115.16 107.42 15.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 33' ' ' ILE . 4.8 p90 -139.13 167.7 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -113.06 151.52 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -49.28 127.99 15.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 12' ' ' ILE . . . 103.67 -19.13 45.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.05 120.69 15.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.48 111.81 8.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 27' ' ' PHE . 22.1 mt -87.75 115.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -78.01 124.11 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 mt -73.61 111.19 8.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.56 153.88 55.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 107.84 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 39' ' ' ALA . 1.7 p -122.29 138.8 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -54.59 -54.53 40.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 t -153.17 161.26 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 38' ' ' VAL . 13.5 mt -150.74 179.84 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -93.58 159.06 35.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.38 6.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.03 19.33 3.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -135.73 162.53 32.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.704 0.288 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' PHE . 9.7 mm100 -143.2 152.84 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -128.99 114.03 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.16 178.03 38.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 p -111.48 140.3 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.94 124.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.91 99.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.62 23.44 67.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -127.54 159.69 33.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.7 m -134.07 145.59 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.41 46.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.1 mm? -104.71 141.99 35.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 46' ' ' GLN . 10.3 p90 -148.44 149.66 32.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.736 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.11 34.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.5 23.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -108.26 -20.53 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 15.6 pt -102.62 19.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.9 152.6 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -134.38 150.68 74.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.95 49.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.62 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -174.67 169.03 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.6 143.87 27.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.626 ' CD ' ' CE1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.74 -1.7 8.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 74.29 40.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -125.25 83.87 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.3 t -61.92 113.34 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 72' ' ' PHE . 20.8 p90 -98.45 85.36 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.9 t -160.38 168.18 25.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm 45.78 39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.77 156.31 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -156.31 143.11 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -86.51 175.11 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 p -97.46 -54.86 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.51 166.11 13.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.2 p -85.72 110.42 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.93 169.64 13.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 150.59 68.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 p -123.39 176.15 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -44.21 150.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.47 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -121.85 165.64 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -102.6 104.28 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.0 123.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -54.83 171.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.818 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -125.42 102.18 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.31 -90.72 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -89.81 160.63 16.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.968 0.414 . . . . 0.0 110.85 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.95 43.63 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' CD1' HD21 ' A' ' 32' ' ' LEU . 25.0 m-85 -134.21 133.48 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.27 140.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 tt -104.95 152.7 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -83.32 135.87 34.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -92.29 -19.58 22.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 1.7 ptp180 -143.05 166.15 25.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 100.41 10.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -84.48 81.31 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.81 107.48 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.98 146.15 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -94.92 21.11 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -109.44 105.14 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -22.72 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -72.24 -43.76 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.4 169.66 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 22.6 tp -100.98 125.15 47.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 p -104.27 125.9 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.6 p90 -147.49 156.06 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -88.43 175.44 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -75.53 103.47 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 22.73 6.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.51 95.8 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 10' ' ' TYR . 57.5 tp -42.67 124.24 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -103.37 116.62 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -72.86 122.68 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.99 121.15 19.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.53 144.34 28.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.99 139.34 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.94 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 t -125.29 157.38 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.8 mt -145.25 166.54 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -95.86 157.53 35.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.95 1.19 19.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.42 ' CE3' ' HB3' ' A' ' 56' ' ' LEU . 86.6 m95 -111.15 156.05 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 59' ' ' ALA . 35.0 mt-30 -134.71 145.29 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -122.78 117.52 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.29 -167.03 21.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.5 p -139.34 128.53 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 77.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.25 54.98 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.57 -90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -118.12 173.5 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -149.65 174.75 29.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 56' ' ' LEU . 3.7 mm? -91.19 116.84 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -126.27 151.48 72.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.742 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' CB ' ' HG3' ' A' ' 46' ' ' GLN . . . -83.6 37.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -119.52 -27.93 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 14.8 pt -96.14 18.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.47 156.67 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.74 151.09 73.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.08 49.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.25 135.97 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.39 118.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.44 145.53 47.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 80.04 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -70.49 143.91 51.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -128.37 116.67 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' PHE . 70.9 m -87.02 85.98 7.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 71' ' ' SER . 89.0 t80 -35.92 97.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.9 t -54.15 142.63 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -43.6 155.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -105.63 162.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.69 146.43 42.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 77' ' ' ARG . 8.7 mtm105 43.65 53.56 5.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.6 t -96.25 -37.99 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.84 -169.94 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.7 m -56.27 119.29 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.84 -80.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.96 69.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -124.32 102.8 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 t -114.63 118.61 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -52.37 171.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 p -155.22 107.81 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 145.79 46.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -93.04 39.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -72.84 123.76 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.34 122.92 1.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -60.47 169.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.6 101.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -140.97 121.15 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 m -123.36 140.4 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.0 tt -102.1 149.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -72.97 134.92 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' CD2' ' HG2' ' A' ' 63' ' ' GLN . 19.3 mt -90.55 -32.94 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -132.8 158.44 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 p -78.38 97.79 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -83.93 87.31 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -92.39 130.1 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -130.58 -179.62 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -124.75 0.56 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.37 158.02 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' SER . 28.5 t -77.95 -50.8 11.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' CYS . 63.5 p -35.57 -50.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.47 146.37 38.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.37 125.87 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -95.9 118.17 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 7.8 p90 -147.69 151.22 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -94.8 179.34 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -72.52 112.64 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.92 -32.0 5.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.5 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.62 111.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -78.56 115.73 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -77.71 121.72 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.1 mm? -70.62 113.29 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.91 149.35 35.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 103.53 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 41' ' ' LEU . 4.1 p -111.83 147.95 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.42 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -131.56 152.77 50.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 38' ' ' VAL . 11.3 mt -139.16 168.32 20.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.86 160.48 58.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.07 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.68 19.2 5.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -117.8 172.37 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 57' ' ' PHE . 29.1 mt-30 -148.52 138.39 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -118.89 123.07 43.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.29 -167.8 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -120.34 135.13 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.16 44.98 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.04 -49.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.57 -30.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 8.7 ttm105 -103.19 155.43 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p -115.39 118.68 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.11 -166.46 11.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.88 140.23 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.779 0.324 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CZ ' ' CB ' ' A' ' 46' ' ' GLN . 41.4 p90 -150.97 149.3 24.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 138.81 38.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.99 33.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.64 8.27 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 pt -132.02 20.17 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -137.13 142.35 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 14.2 pt20 -114.55 151.93 45.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.98 66.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.01 133.85 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.55 111.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.05 144.19 14.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' PHE . 53.9 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.51 88.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PRO . 31.7 t80 -58.77 107.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.1 p -84.59 155.72 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -83.86 141.77 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.5 p -100.52 118.44 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -43.31 -51.54 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 65.63 47.72 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -103.99 115.69 30.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -47.03 128.63 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.1 t -104.34 145.02 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.25 144.32 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -84.05 174.1 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.37 171.68 18.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 164.95 32.63 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -129.62 103.38 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t -95.25 79.26 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -96.92 136.13 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -113.9 160.16 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.53 85.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -83.3 127.76 33.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -70.3 -57.35 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.54 -149.51 18.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -60.38 149.45 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.36 119.79 5.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -140.7 130.98 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.35 144.22 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 tt -103.28 157.76 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -86.53 115.28 23.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.74 -33.16 68.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -135.27 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 m -87.11 111.87 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 10.9 t80 -103.65 92.78 4.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.08 134.15 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 p -121.21 158.99 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.66 24.56 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -127.07 149.48 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -88.42 36.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 m -134.76 -34.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.09 -178.35 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 55.6 tp -112.75 135.63 53.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 p -116.56 117.59 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 6.0 p90 -141.42 160.79 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -107.53 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -61.36 143.32 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.83 -24.52 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.01 101.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.98 125.74 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 mt -100.1 133.74 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -89.57 129.75 35.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.84 96.1 9.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.05 152.61 93.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.6 p -131.54 150.33 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -89.78 -53.36 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.3 t -119.67 140.26 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -132.12 175.64 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.94 160.75 29.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.97 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.76 28.12 10.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -133.31 154.33 50.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -130.23 144.3 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -115.24 117.17 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.84 -169.75 24.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.5 p -130.36 133.19 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.01 131.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 35.73 92.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 10.37 70.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -120.97 150.2 41.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.3 p -121.29 140.64 51.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -175.36 -158.11 18.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -123.27 133.89 54.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -137.81 151.37 70.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.99 29.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.79 -0.23 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 8.4 pt -126.03 18.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.98 143.46 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -117.22 149.3 44.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.78 61.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.94 169.89 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 132.84 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.61 57.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -38.45 7.78 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.41 148.58 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 t80 64.38 43.06 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 t -82.03 84.76 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -169.09 118.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.2 m -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -58.45 -51.64 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -79.12 84.16 5.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -80.9 161.83 24.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.47 118.79 23.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.0 p -76.69 119.38 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.2 -127.13 1.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.1 p -108.67 147.81 31.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.18 154.76 25.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.53 21.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.4 p -132.32 166.11 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.3 t -85.77 132.76 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -114.28 163.07 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 m -127.3 127.04 43.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.66 -48.49 3.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -115.31 109.59 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 t -105.57 89.57 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.92 61.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -104.67 133.9 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.71 101.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' C ' HG12 ' A' ' 11' ' ' VAL . 44.2 m-85 -136.93 143.45 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG12 ' C ' ' A' ' 10' ' ' TYR . 35.3 m -147.37 140.94 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 tt -105.37 147.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.25 122.9 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.34 -30.13 47.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -127.83 167.23 16.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -85.98 120.7 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -110.56 91.29 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.22 126.34 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -132.98 157.51 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -104.66 22.31 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.34 157.4 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.05 -54.67 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -40.96 -41.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.44 160.67 23.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.7 tp -101.19 124.33 46.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 m -96.48 112.83 24.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -135.88 -177.18 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -131.95 163.61 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -52.81 122.38 9.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.87 31.5 12.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.18 78.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 tp -39.17 115.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -96.09 105.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -61.54 123.58 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.45 105.54 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.74 153.04 85.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 100.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 39' ' ' ALA . 11.8 p -114.93 149.24 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -82.54 -55.69 4.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -120.32 150.47 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' HG13 ' A' ' 38' ' ' VAL . 12.7 mt -147.68 170.1 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 154.55 56.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.75 11.13 15.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -117.58 163.75 15.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -139.66 140.17 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.529 ' CD1' HD11 ' A' ' 56' ' ' LEU . 35.6 t80 -115.46 124.87 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.59 39.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 p -127.15 133.37 50.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 51.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.76 63.97 2.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.98 -51.05 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -117.05 161.95 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.9 p -133.57 170.93 14.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.07 166.74 11.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' A' ' 47' ' ' PHE . 8.8 mp -83.17 156.9 22.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CE1' HG21 ' A' ' 33' ' ' ILE . 35.7 p90 -152.81 152.71 28.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.28 19.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.06 19.7 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.12 -34.69 9.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 pt -86.26 -6.27 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.77 175.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -145.91 151.87 46.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.11 49.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.12 164.31 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.57 129.02 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 143.99 72.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 90.03 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -48.49 163.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -87.89 172.38 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 t 67.64 35.74 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 15.5 p90 -49.27 123.58 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 t -162.03 141.92 10.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -69.49 148.16 49.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.08 -57.18 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -37.92 148.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.93 99.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 79' ' ' GLY . 76.6 p -114.18 124.73 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -34.96 139.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -157.05 130.45 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.79 153.16 36.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.34 2.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -126.15 -51.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.1 p -129.09 -43.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -45.67 111.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -57.52 125.29 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.86 155.5 27.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -167.67 144.5 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -63.13 -43.92 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.7 -167.71 37.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.9 t -89.16 -57.28 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.06 87.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -145.42 122.77 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -127.91 142.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -101.94 151.07 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.01 104.44 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.49 -35.15 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 2.5 ptm85 -124.65 -175.2 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 p -104.35 109.57 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -99.46 93.99 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mm -107.38 121.23 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 130.37 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.63 -25.5 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.62 147.24 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.87 -37.57 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -53.95 -49.92 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.46 -179.9 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -112.73 130.81 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -102.88 129.0 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -102.21 -176.91 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -76.19 141.13 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.92 12.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.65 97.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tt -49.64 127.67 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -106.82 118.52 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -80.22 136.41 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.46 105.04 16.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.04 154.28 92.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.83 4.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.623 2.216 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.22 149.38 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.03 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.3 t -154.91 153.73 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.09 176.97 8.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.82 158.86 67.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 87.91 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.13 -22.41 5.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.8 151.81 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.723 0.297 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -130.63 155.42 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -122.31 124.32 43.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.57 -167.35 31.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -132.79 159.1 40.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.52 107.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.23 -47.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -24.93 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -105.0 148.17 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -114.43 142.64 46.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.12 -159.82 16.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.59 143.13 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -148.64 148.76 29.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.81 28.9 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.73 20.32 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.0 -37.45 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.68 2.09 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.14 167.4 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -141.82 151.95 61.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 144.39 53.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.66 160.74 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 134.19 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.73 99.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.02 3.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -42.18 117.59 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -43.57 130.45 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' PHE . 87.6 p -116.61 156.96 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' SER . 21.1 m-85 -35.81 -49.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' PHE . 9.0 t 35.22 54.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 141.92 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -84.91 116.44 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -47.51 95.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -85.28 91.35 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 79' ' ' GLY . 48.7 m -124.9 161.03 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -36.87 102.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.6 p -85.92 131.26 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 169.79 37.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 136.23 32.32 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -95.9 165.54 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -58.07 163.81 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -78.15 174.13 11.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -90.77 99.09 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.49 61.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -85.1 146.24 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -104.12 134.23 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.12 169.05 25.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 t -84.46 84.39 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.835 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.41 76.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -123.36 133.47 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.17 146.41 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.6 tt -105.56 154.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.11 109.07 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.26 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -144.76 154.58 42.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -60.28 148.39 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 40.6 t80 -134.18 70.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mm -69.59 126.77 30.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -121.29 130.07 53.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -74.35 -4.88 39.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 t-20 -119.24 105.22 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.9 p -37.41 -36.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -57.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -65.55 -177.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.6 tp -108.49 125.44 51.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -104.2 118.19 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 1.8 p90 -141.08 172.25 12.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -118.93 172.41 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -59.88 114.95 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.02 -39.15 3.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.88 98.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.93 140.93 58.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.57 139.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.55 114.99 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.8 125.26 24.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.4 mt -107.09 148.64 37.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.74 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 41' ' ' LEU . 7.5 p -117.31 133.87 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.75 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 t -126.27 162.5 25.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 38' ' ' VAL . 13.5 mt -150.7 179.32 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.65 154.76 37.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.68 11.09 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -120.61 158.84 26.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -135.35 142.74 45.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -114.86 124.12 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.0 175.14 44.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 t -107.16 132.68 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.0 131.99 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.56 62.1 6.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.49 35.18 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -149.18 157.08 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -121.39 153.55 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.22 -169.06 42.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.98 145.19 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -145.75 147.84 34.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.24 14.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 49.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.58 -31.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 pt -98.02 22.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.3 142.35 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 1.8 pp0? -117.95 149.36 45.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 54.3 Cg_endo -69.78 142.3 47.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.01 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.77 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.99 144.24 82.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -8.83 24.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.45 139.61 32.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -62.3 171.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -129.12 112.99 14.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -58.21 171.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -55.31 144.38 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -94.17 149.17 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.73 155.54 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -46.05 145.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -57.45 150.85 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 p -62.37 153.73 30.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -125.5 -47.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' GLY . 15.2 m -34.87 138.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.41 -161.46 11.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -135.09 172.88 12.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.8 p -99.71 173.92 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -60.75 -44.4 96.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -87.88 117.98 27.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.63 89.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -155.95 176.08 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -161.13 128.68 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.7 122.02 2.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -91.24 166.71 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.376 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.24 51.44 0.86 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 34' ' ' LYS . 10.5 m-85 -133.9 126.35 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 110.908 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.48 143.48 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.2 tt -104.02 157.11 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -85.45 111.32 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.42 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -140.48 160.29 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 p -71.58 129.79 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 5.0 t80 -114.55 90.54 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.7 mm -92.45 114.62 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.0 p -116.22 168.38 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -128.79 28.19 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -145.12 121.07 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.7 p -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 m -44.31 -48.81 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.49 177.08 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 tp -114.63 132.62 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -104.33 101.41 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 33' ' ' ILE . 6.4 p90 -129.39 164.69 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -105.75 178.6 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -70.37 144.15 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.28 -32.26 2.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -54.73 96.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' C ' ' CD2' ' A' ' 32' ' ' LEU . 1.9 tt -53.46 123.05 10.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 27' ' ' PHE . 11.9 mt -100.32 121.96 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -85.81 140.05 30.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.24 105.2 17.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.92 154.29 94.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.51 3.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.18 157.19 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.18 -62.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 135.19 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -132.04 166.05 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.14 152.37 55.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.48 8.0 41.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -118.05 166.99 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.41 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.1 mm-40 -140.25 147.3 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -121.41 113.21 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -175.92 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 t -129.89 141.26 50.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.24 48.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 79.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.98 -48.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 4.7 ptp180 -151.4 154.34 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -108.0 152.01 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.66 -176.35 42.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.29 108.01 18.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -110.51 150.09 41.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.06 64.3 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 46' ' ' GLN . . . -95.45 28.82 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.89 -15.07 12.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 11.3 pt -112.16 18.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.9 m -135.87 151.45 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 1.8 pp0? -126.93 149.27 68.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 53.7 Cg_endo -69.71 142.44 48.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.76 176.86 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.23 147.8 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.28 144.2 40.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -137.61 115.35 11.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.33 -47.82 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t 54.97 43.64 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -57.42 141.87 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.4 m -68.21 162.91 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -50.41 166.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -127.53 142.12 51.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -61.83 170.03 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -93.9 156.17 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -145.93 116.4 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 -162.51 9.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 t 52.66 43.28 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.58 61.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.61 61.03 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 m -124.55 167.34 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -42.69 147.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -50.72 -43.53 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 p -139.46 113.92 9.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.4 177.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -88.61 153.38 21.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -67.07 -57.3 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.18 54.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 146.42 49.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.91 123.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 68' ' ' PRO . 11.4 m-85 -135.09 134.46 40.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 m -131.85 148.0 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.31 145.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.14 124.42 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 8.5 mt -82.77 -18.45 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 154.94 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.7 p -71.41 134.88 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -125.97 108.36 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.0 mm -110.38 118.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.34 51.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.0 28.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -132.01 146.89 52.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -73.36 -46.98 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -40.16 -54.82 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.52 162.59 26.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -100.54 138.06 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.1 p -113.49 101.59 9.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 2.9 p90 -122.64 171.79 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -113.98 168.78 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 5.8 tpt180 -53.08 117.66 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.67 51.07 6.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -117.41 82.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -40.8 110.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.01 149.07 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -103.56 114.47 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.0 mt -69.84 112.96 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -90.56 150.2 42.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 93.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -100.08 142.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.89 53.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -151.44 144.28 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -128.99 172.33 11.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.25 157.96 47.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.668 0.747 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.6 -21.35 5.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.54 154.59 17.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -137.04 131.72 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -103.86 134.12 47.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 175.38 45.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t -123.62 137.37 54.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.54 57.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.96 74.02 0.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.2 -61.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -131.29 164.96 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 p -117.96 159.17 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.84 168.37 20.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.19 159.07 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -152.99 153.27 29.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.93 13.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.43 47.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -130.0 -41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.2 pt -85.98 14.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.1 155.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -138.13 152.9 72.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 141.78 46.28 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.33 -75.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.61 138.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.63 44.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.72 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.79 -6.83 19.55 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 15.9 p-10 -53.06 87.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 68' ' ' PRO . 3.6 p90 -161.69 166.95 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -136.79 136.1 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -103.2 141.2 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.7 t -100.95 -61.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -103.25 138.14 40.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.2 103.42 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -108.64 95.14 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.34 146.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 t -80.92 139.12 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.8 125.49 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.3 t -127.1 -52.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.931 0.396 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.25 146.35 6.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -78.0 104.53 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -135.16 132.58 38.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -111.34 126.79 55.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -63.11 165.82 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 131.0 51.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -47.4 -49.51 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -119.77 128.75 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.04 69.98 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 m -91.05 49.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.26 81.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' A' ' 32' ' ' LEU . 11.4 m-85 -141.62 120.33 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.405 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.95 144.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.9 tt -107.7 160.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.74 143.15 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.95 -32.65 10.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -128.42 176.86 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -88.67 122.12 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -116.11 95.75 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.86 126.69 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -110.99 178.07 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -121.02 -4.41 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -113.77 177.04 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.27 -32.09 13.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.2 m -50.6 -47.54 58.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.89 172.24 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 tp -110.7 130.51 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -96.53 117.56 31.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 1.2 p90 -148.84 148.53 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -96.17 -176.44 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -71.57 140.12 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.98 -24.35 11.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 137.63 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 10' ' ' TYR . 6.7 tp -96.84 129.89 44.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.9 mp -104.86 112.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.2 ttpt -66.69 124.87 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.45 95.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -73.59 153.61 89.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 110.99 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 41' ' ' LEU . 2.5 p -124.86 142.01 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -57.83 -53.15 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -151.16 153.73 35.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 38' ' ' VAL . 90.8 mt -137.26 170.19 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.91 163.03 21.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.7 15.44 2.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -135.72 149.74 49.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -134.0 162.71 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -133.65 112.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' LYS . . . -160.47 156.76 28.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -85.69 143.31 28.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.34 108.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 37.7 17.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.11 32.09 74.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -151.58 133.55 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -96.63 142.75 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.76 164.41 37.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.4 127.48 39.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.479 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.8 p90 -133.01 152.58 80.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.97 43.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.56 26.81 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.61 -28.09 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 pt -95.27 13.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -129.96 164.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -134.18 152.31 78.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.26 53.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.92 176.64 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.79 147.6 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.55 144.39 97.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.734 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 81.92 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.707 2.272 . . . . 0.0 112.272 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -50.8 136.15 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -117.36 174.09 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.3 t -66.64 -40.25 88.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -124.19 88.42 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -132.61 98.48 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 tptm 68.99 42.29 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.17 101.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.07 137.83 33.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -41.47 124.45 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ARG . 63.8 p -34.77 -57.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.0 133.76 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 t -99.07 -175.47 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.58 164.79 15.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.82 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.8 p -128.92 165.1 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -68.72 171.42 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.528 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -119.18 122.66 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 p -79.39 105.56 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.43 139.99 14.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -96.86 101.21 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -72.61 101.64 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.53 43.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.0 m -60.16 168.09 2.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.64 108.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 39.7 m-85 -136.42 124.63 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 tt -103.45 157.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.36 138.62 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD21 ' CG ' ' A' ' 63' ' ' GLN . 76.1 mt -93.06 -37.77 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.79 151.62 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -58.41 131.93 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -118.81 87.59 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.02 122.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.35 124.72 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.75 34.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.67 165.44 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 t -103.55 -12.1 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 p -88.9 -23.98 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.01 165.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 tp -98.76 142.21 30.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -115.26 112.53 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -133.6 167.32 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -113.98 139.06 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -38.6 145.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.35 -24.85 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 27.2 t0 -72.39 147.32 46.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 3.3 tt -100.88 128.38 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 57' ' ' PHE . 4.8 mp -98.2 100.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -54.51 126.16 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.24 94.63 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 13.3 mt -67.97 151.84 96.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.25 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 7.2 p -101.42 162.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -81.45 -51.38 8.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -148.16 148.63 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' A' ' 38' ' ' VAL . 13.6 mt -151.89 166.98 29.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.1 mm-40 -95.86 163.07 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.9 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.29 -4.39 4.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -119.6 134.56 55.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -122.48 136.34 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 36' ' ' LEU . 86.4 t80 -104.78 138.84 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.85 177.81 42.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.7 p -118.38 135.89 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.65 109.92 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.72 -43.58 2.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.05 -30.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 54' ' ' SER . 11.6 ttm180 -97.81 150.44 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 83.0 p -108.74 142.26 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.31 179.88 40.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.07 123.34 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE1' HG23 ' A' ' 33' ' ' ILE . 18.7 p90 -122.33 152.14 60.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.656 0.741 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.86 16.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.62 38.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.65 -9.86 9.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 pt -118.28 6.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.4 m -121.03 142.62 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' CG ' HD21 ' A' ' 14' ' ' LEU . 19.1 pt20 -115.87 152.94 48.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.33 50.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.43 152.61 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.84 160.0 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.26 151.3 95.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.71 2.06 3.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 73.46 38.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.11 148.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.9 m -102.76 58.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.87 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.1 t -85.43 148.5 25.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.18 110.02 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -96.86 95.77 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -62.2 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -45.59 104.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -49.93 -57.49 7.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.03 -179.15 24.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -174.99 139.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 146.95 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 93.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 p -54.95 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -111.74 -179.84 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -116.6 137.54 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p 41.12 42.14 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.66 140.45 6.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -93.55 119.21 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -103.12 -18.72 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.2 131.96 2.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.1 p -131.98 176.07 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.38 104.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -146.11 132.61 19.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.27 151.52 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -109.76 150.14 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.54 132.79 42.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.2 mt -91.36 -29.77 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.07 156.1 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -74.06 103.23 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.66 90.24 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.11 118.99 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 155.81 45.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.17 -28.76 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -39.28 156.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.3 t -100.31 -4.92 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -110.35 22.25 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.4 mt -140.2 174.15 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -115.29 136.24 53.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -112.75 109.09 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -129.53 165.4 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.05 165.0 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -59.63 140.38 56.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.32 -15.04 25.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.67 111.4 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.82 132.95 53.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG23 ' CZ ' ' A' ' 57' ' ' PHE . 20.7 mt -110.33 115.27 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -74.77 123.27 24.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.56 92.8 5.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.9 149.27 96.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.93 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 41' ' ' LEU . 7.4 p -99.29 153.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.52 -48.83 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -147.8 158.44 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.4 mt -150.43 166.85 28.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.0 mm-40 -94.82 163.05 23.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.8 Cg_endo -69.71 92.1 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.48 -27.37 5.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -87.42 151.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -135.84 140.96 44.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -113.28 132.48 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.87 174.31 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.4 t -109.11 146.04 34.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.47 74.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.99 -57.12 0.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.49 -33.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -94.83 135.72 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -112.24 127.18 55.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.75 -167.0 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.14 112.72 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.503 ' CZ ' HG23 ' A' ' 33' ' ' ILE . 45.7 p90 -115.06 152.28 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.22 47.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.61 20.26 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.17 6.11 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.1 pt -130.13 10.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.38 155.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -128.86 152.43 79.01 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 143.64 51.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.12 136.97 27.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 129.33 23.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.66 143.91 47.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -12.35 32.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -50.49 143.41 9.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.1 t80 60.3 52.73 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 m -142.46 110.75 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.34 86.53 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -80.93 167.81 19.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -97.08 -54.96 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.06 159.96 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -139.58 144.15 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -42.63 121.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.8 p -122.56 165.66 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.24 -56.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.8 p -93.66 -58.69 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.97 -159.29 24.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.55 9.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -55.46 178.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 p -129.19 -35.68 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p -154.66 171.66 19.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t 53.58 45.13 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.36 44.59 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -122.19 81.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -42.14 117.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.49 93.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -96.58 141.44 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.52 105.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.9 123.62 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.19 146.49 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 tt -108.85 159.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -83.66 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 62' ' ' VAL . 13.3 mt -89.55 -39.91 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.2 ptp180 -128.96 160.38 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -75.59 107.3 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' A' ' 61' ' ' ILE . 13.0 t80 -98.33 79.11 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -84.64 122.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -136.48 140.53 43.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.39 35.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -123.59 157.39 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.4 m -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -42.14 -47.68 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.13 166.35 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.53 148.05 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.3 m -119.7 99.0 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.546 ' CE2' HD13 ' A' ' 33' ' ' ILE . 15.2 p90 -131.43 178.61 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -121.05 171.87 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -68.52 140.2 55.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.44 -1.37 88.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -85.45 128.99 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -76.93 117.95 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.546 HD13 ' CE2' ' A' ' 27' ' ' PHE . 32.6 mt -99.56 124.37 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.06 131.07 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.6 mt -83.32 112.15 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 153.0 68.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.724 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -113.05 155.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -61.68 -66.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -165.41 140.45 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -125.3 -173.83 2.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -80.96 161.56 62.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.31 18.06 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -136.88 157.65 46.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -143.0 154.7 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.468 ' CB ' HD23 ' A' ' 41' ' ' LEU . 89.0 t80 -124.81 124.56 42.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.73 177.87 40.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -119.27 143.38 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.87 121.84 8.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.92 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.51 -21.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -102.61 148.31 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.9 p -108.04 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.53 171.98 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.96 122.88 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.97 151.49 55.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.752 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.9 36.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.72 18.14 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -107.21 2.38 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.8 pt -129.89 19.29 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' N ' HD11 ' A' ' 14' ' ' LEU . 22.9 m -138.8 142.11 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -118.99 152.36 51.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.36 50.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.86 141.47 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.78 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.61 145.98 98.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.79 14.73 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' PHE . 26.0 t70 -58.38 120.13 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 70.6 m-85 -34.73 144.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -160.4 141.81 12.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -46.08 171.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.4 m -147.45 134.76 20.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -119.47 127.4 53.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 68.38 43.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.12 121.41 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -109.72 102.81 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -157.48 -176.1 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.5 -59.92 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -67.73 120.52 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.18 -159.21 10.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.45 60.46 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -152.5 143.99 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -65.62 133.07 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.5 m-85 -134.06 124.19 25.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.29 150.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.36 142.3 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -71.8 126.58 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD21 ' CG ' ' A' ' 63' ' ' GLN . 16.1 mt -86.51 -30.2 22.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.7 ptp180 -141.22 159.24 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 p -72.81 127.17 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -117.63 79.4 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.67 126.37 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.0 p -125.96 141.44 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.19 30.03 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -137.18 170.82 15.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.6 m -93.26 -42.01 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -51.4 -45.06 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.18 175.06 10.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.86 140.2 48.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -113.12 119.6 38.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 33' ' ' ILE . 5.0 p90 -150.94 168.32 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -108.78 177.89 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 14' ' ' LEU . 23.8 ttp180 -70.25 111.59 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.12 -30.07 6.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -58.75 106.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' TYR . 4.3 tt -60.58 134.41 57.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.712 HG21 ' CE1' ' A' ' 57' ' ' PHE . 25.7 mt -109.9 103.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -62.85 126.5 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.34 107.58 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 49' ' ' SER . 97.9 mt -84.34 153.63 62.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.697 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.04 6.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.9 p -128.32 145.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -58.85 5.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.56 143.82 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -126.85 -177.34 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.99 160.01 27.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.82 -27.93 3.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -90.39 146.26 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.665 ' O ' HD23 ' A' ' 56' ' ' LEU . 15.8 mm100 -124.5 156.42 37.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' HD21 ' A' ' 41' ' ' LEU . 75.2 t80 -129.07 125.6 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.54 -177.36 43.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 36' ' ' LEU . 2.1 m -115.82 146.99 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.05 29.15 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.66 -69.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -134.41 -31.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -96.24 148.47 22.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.8 p -122.05 135.64 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.02 -179.71 34.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 46' ' ' GLN . 22.5 mt -103.39 115.16 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HG21 ' A' ' 33' ' ' ILE . 17.9 p90 -112.27 153.37 44.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.23 49.91 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -90.78 22.67 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -113.98 1.76 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.3 pt -128.23 10.27 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.08 145.9 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.602 ' CG ' HD21 ' A' ' 14' ' ' LEU . 17.0 pt20 -124.52 150.47 64.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 146.29 59.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.52 146.36 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.89 154.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 32' ' ' LEU . 14.0 m-85 -144.56 119.78 10.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.935 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.4 143.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.8 tt -103.55 162.97 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 30' ' ' GLY . . . -83.1 136.51 34.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.33 -28.39 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -140.24 146.28 38.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -61.92 104.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -94.86 90.97 6.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -97.66 118.85 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -97.52 178.19 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -119.28 -14.0 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -117.28 174.58 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -88.24 -34.73 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -45.81 -49.97 14.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.07 160.96 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 43.1 tp -94.04 139.48 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -116.67 122.98 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -147.44 165.08 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -103.99 178.51 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -70.62 111.83 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 13' ' ' ALA . . . 117.36 -37.17 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 102.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.8 tt -52.72 140.32 24.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 mt -120.1 102.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 135.49 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.0 mm? -80.98 105.46 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -79.73 150.26 72.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.22 7.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -133.82 138.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -129.41 160.01 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 38' ' ' VAL . 24.6 mt -146.99 164.36 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.81 157.13 67.18 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.33 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.21 13.6 8.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -121.39 146.05 47.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.278 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 39.2 mt-30 -124.98 142.25 51.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -124.2 108.32 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.83 -174.86 29.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -117.11 153.14 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.0 -38.6 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 51.55 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.32 -38.12 3.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 18.2 ptp180 -99.46 138.75 36.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.6 p -121.26 155.74 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -177.36 179.53 48.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.81 129.99 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 47.2 p90 -140.67 148.6 53.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.66 43.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.2 34.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -124.57 3.56 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 13.9 pt -126.29 23.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.5 m -141.03 148.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.7 pt20 -121.76 151.83 58.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.77 51.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.4 167.55 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.35 153.97 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 111.074 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.7 m-85 -136.3 130.48 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.16 150.06 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.519 HD11 ' HA2' ' A' ' 30' ' ' GLY . 20.0 tt -110.07 157.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -84.22 124.57 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.79 -29.13 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -135.47 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 p -91.17 90.3 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -81.66 99.9 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 p -118.88 148.42 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -108.75 19.56 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -130.06 120.74 25.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.45 -46.02 18.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -40.43 -44.64 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.43 -176.8 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.29 137.8 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 t -109.09 125.92 52.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 5.9 p90 -150.88 149.71 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -97.6 162.58 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -53.65 141.97 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 85.18 -30.19 4.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 102.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 10' ' ' TYR . 10.5 tp -59.05 119.7 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.4 mt -92.62 113.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.93 132.27 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.23 118.0 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 49' ' ' SER . 94.8 mt -92.75 147.82 34.86 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.523 0.677 . . . . 0.0 110.967 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.319 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 41' ' ' LEU . 2.2 p -124.67 153.93 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -86.38 -46.46 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -133.57 130.83 38.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 47' ' ' PHE . 38.9 mt -123.58 171.23 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.06 156.58 46.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.83 3.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.71 -3.31 86.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -101.5 167.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.855 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 48.6 mt-30 -143.01 132.32 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 41' ' ' LEU . 79.9 t80 -105.4 118.19 35.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.55 -174.88 26.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 36' ' ' LEU . 3.0 m -127.82 119.13 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.96 96.85 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.37 65.5 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.61 32.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 15.7 mtm105 -141.01 164.21 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -136.88 133.44 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.33 -171.58 34.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 136.34 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 p90 -135.71 151.31 74.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.735 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.28 39.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -89.08 32.03 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.26 -24.66 6.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.9 20.92 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG21 ' OE1' ' A' ' 46' ' ' GLN . 28.0 m -136.49 150.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.11 150.26 62.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.77 55.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.27 177.82 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.92 139.65 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.681 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -139.38 121.29 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -117.85 142.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.7 tt -105.55 154.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -83.8 133.76 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.42 -31.0 17.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -129.48 174.58 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 m -92.11 104.18 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.51 91.49 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.4 121.29 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 146.06 51.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 26.93 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.44 158.85 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.74 -56.53 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -41.49 -44.2 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 176.04 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -119.07 139.15 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -112.13 126.96 55.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -150.08 167.73 25.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -105.11 155.59 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 ptt85 -59.4 136.04 57.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 96.08 -23.83 32.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -63.38 133.11 53.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 10' ' ' TYR . 23.1 tp -82.26 111.48 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.603 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 32.7 mt -83.2 120.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -79.86 124.79 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.62 84.46 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.91 152.42 69.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 103.12 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 41' ' ' LEU . 10.4 p -111.03 128.76 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.12 -48.58 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -158.12 148.62 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 47' ' ' PHE . 10.4 mt -131.85 175.51 9.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -91.66 156.87 42.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.65 -22.58 6.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -97.8 150.79 20.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.714 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -126.63 144.09 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.944 ' HB2' HD21 ' A' ' 41' ' ' LEU . 68.8 t80 -112.68 129.66 56.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.04 -169.9 37.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -122.3 152.35 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.29 125.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.79 47.72 46.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.09 38.65 56.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -152.47 168.93 23.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 p -134.63 155.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.71 -169.43 39.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.74 134.44 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 49.2 p90 -131.42 152.53 80.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.665 0.745 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -86.73 22.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.24 8.3 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.3 -4.32 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.4 m -112.83 149.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -123.31 153.3 65.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.07 66.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.62 136.15 27.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.6 114.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.094 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.446 ' C ' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -142.22 132.6 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 32' ' ' LEU . 27.4 m -128.1 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 30' ' ' GLY . 13.8 tt -107.0 157.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 123.26 29.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.42 -46.87 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -130.43 158.61 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 p -60.62 157.26 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 6.3 t80 -145.78 123.79 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -116.73 124.32 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 p -119.03 154.68 32.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -117.34 27.6 8.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.3 150.25 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 p -69.93 -40.61 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -53.93 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 45' ' ' TRP . 49.0 mt -73.27 -179.63 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 tp -122.09 138.07 54.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 p -107.08 141.22 38.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.9 p90 -171.47 166.55 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -114.01 179.84 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -65.68 139.43 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' CG1' ' A' ' 12' ' ' ILE . . . 96.32 -49.15 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -44.49 123.98 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.6 tp -90.48 126.56 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.733 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -95.0 123.44 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.91 131.59 39.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 9' ' ' GLY . 84.0 mt -80.56 91.86 5.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 49' ' ' SER . 19.7 mt -74.51 151.25 87.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -143.69 143.43 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -59.05 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 t -128.62 151.21 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 47' ' ' PHE . 17.3 mt -139.06 -177.71 5.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.29 153.71 37.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 85.99 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.48 21.37 4.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 24' ' ' LEU . 73.6 m95 -130.63 148.78 52.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 25.1 mt-30 -122.81 136.35 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.611 ' HB2' HD21 ' A' ' 41' ' ' LEU . 34.3 t80 -108.34 120.47 42.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.47 178.78 40.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.608 ' HB2' HD11 ' A' ' 36' ' ' LEU . 12.5 t -115.86 141.13 48.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.12 118.99 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.07 -77.46 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.9 30.44 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -144.99 157.16 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -123.38 129.5 51.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.71 -158.57 9.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 mt -124.0 132.19 53.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 33' ' ' ILE . 7.4 p90 -131.3 153.17 81.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.676 0.751 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.17 37.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.22 28.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.23 -38.95 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 4.0 pt -90.57 16.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.67 143.33 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -122.33 152.62 61.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.09 53.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.745 2.296 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.44 151.81 47.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 134.77 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 32' ' ' LEU . 17.3 m-85 -134.02 121.77 22.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 35' ' ' LEU . 23.2 m -118.98 139.51 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.75 151.34 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -79.23 122.97 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 63' ' ' GLN . 35.3 mt -80.05 -29.86 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -132.04 -177.03 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -98.2 125.7 43.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.55 80.66 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.4 mm -88.7 114.08 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -143.9 143.36 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -99.56 37.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -123.46 125.29 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.4 m -58.94 -43.29 91.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -46.95 -44.49 20.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.8 mt -89.45 168.43 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 50' ' ' ALA . 64.0 tp -101.79 129.89 48.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.8 p -97.17 97.78 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 3.8 p90 -132.75 158.26 42.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -104.42 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.35 132.89 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.71 -33.59 5.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.24 101.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 10' ' ' TYR . 5.8 tp -59.02 112.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.754 HG21 ' CE1' ' A' ' 57' ' ' PHE . 26.5 mt -83.37 118.17 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -76.58 122.78 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 11' ' ' VAL . 3.6 mm? -75.9 119.87 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.14 147.13 32.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.18 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.301 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -124.38 138.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -124.51 145.47 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 47' ' ' PHE . 13.6 mt -128.13 172.88 10.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.01 160.64 54.79 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 100.39 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.24 31.19 10.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -134.27 159.48 40.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.733 0.301 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.677 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 68.3 mt-30 -135.57 135.71 40.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' CB ' HD21 ' A' ' 41' ' ' LEU . 47.4 t80 -111.39 120.06 40.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.0 -173.95 34.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -114.04 137.07 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -131.91 69.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.98 46.4 1.47 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.27 -31.27 3.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -97.01 138.62 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -109.02 151.2 26.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.1 178.71 41.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 107.59 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.1 p90 -111.31 152.66 44.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.94 31.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -118.77 6.31 11.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 pt -133.14 15.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.5 m -133.05 147.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 14' ' ' LEU . 8.1 pt20 -119.35 151.75 51.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 147.3 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.99 154.05 41.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.41 136.66 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 32' ' ' LEU . 9.6 m-85 -146.34 121.36 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 64' ' ' PRO . 29.4 m -122.46 140.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.1 tt -103.26 141.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.17 150.83 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 63' ' ' GLN . 5.1 mt -110.6 -33.25 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 4.9 ptp180 -124.8 166.86 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -84.74 126.17 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -118.27 98.28 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -102.78 125.34 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.74 155.62 45.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -112.68 36.82 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -128.28 155.33 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.1 p -87.15 -17.15 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -81.24 -40.91 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.27 177.11 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.3 tp -119.52 135.58 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -108.81 126.85 53.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -153.61 174.02 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -109.71 -175.25 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.9 137.98 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.14 -7.32 81.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.04 121.09 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 10' ' ' TYR . 7.5 tt -72.48 119.09 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -96.54 120.78 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -77.27 135.86 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.67 107.8 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.57 155.94 73.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 HD11 ' A' ' 41' ' ' LEU . 7.3 p -125.2 153.79 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -88.69 -57.15 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -119.88 143.73 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 38' ' ' VAL . 12.5 mt -136.08 173.9 11.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.41 151.11 37.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.56 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.88 10.21 3.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -121.7 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.725 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 41.2 mt-30 -146.7 131.73 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -103.76 123.67 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.9 33.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t -135.67 132.95 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.28 111.36 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.5 -77.35 2.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.07 17.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -123.48 148.05 46.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -118.34 134.13 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.4 162.48 24.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 157.26 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.6 p90 -151.5 152.53 30.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.4 14.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -79.37 10.99 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -96.97 5.08 51.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 8.0 pt -125.84 0.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.36 155.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.4 ' CG ' HD21 ' A' ' 14' ' ' LEU . 9.2 pt20 -119.91 150.24 50.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.44 170.33 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.23 140.65 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.471 ' CD2' HD21 ' A' ' 32' ' ' LEU . 18.0 m-85 -143.48 137.36 28.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.13 149.65 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.729 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.7 tt -107.91 155.4 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.528 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -77.76 133.86 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD21 ' HG2' ' A' ' 63' ' ' GLN . 65.8 mt -94.5 -37.05 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -132.11 157.11 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 88.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -71.65 72.72 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.32 112.73 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -116.92 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.31 20.08 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -132.53 155.96 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.99 -48.41 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -41.19 -39.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.9 mt -89.77 172.15 9.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 tp -107.49 141.34 39.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -115.16 107.42 15.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 4.8 p90 -139.13 167.7 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -113.06 151.52 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -49.28 127.99 15.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 103.67 -19.13 45.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.05 120.69 15.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.1 tp -73.48 111.81 8.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.571 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 22.1 mt -87.75 115.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -78.01 124.11 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 mt -73.61 111.19 8.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.56 153.88 55.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 107.84 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 1.7 p -122.29 138.8 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -54.53 40.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 t -153.17 161.26 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.74 179.84 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -93.58 159.06 35.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.38 6.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.03 19.33 3.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -135.73 162.53 32.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.704 0.288 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.826 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -143.2 152.84 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CB ' HD11 ' A' ' 41' ' ' LEU . 57.6 t80 -128.99 114.03 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.16 178.03 38.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 p -111.48 140.3 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.94 124.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.91 99.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.62 23.44 67.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -127.54 159.69 33.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.7 m -134.07 145.59 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.41 46.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.1 mm? -104.71 141.99 35.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 10.3 p90 -148.44 149.66 32.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.736 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.11 34.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -84.5 23.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -108.26 -20.53 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 15.6 pt -102.62 19.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.9 152.6 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 14' ' ' LEU . 6.7 pt20 -134.38 150.68 74.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.95 49.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.62 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -174.67 169.03 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.0 m-85 -134.21 133.48 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.27 140.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 tt -104.95 152.7 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 135.87 34.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -92.29 -19.58 22.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 1.7 ptp180 -143.05 166.15 25.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 100.41 10.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -84.48 81.31 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.81 107.48 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.98 146.15 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -94.92 21.11 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -109.44 105.14 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -22.72 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -72.24 -43.76 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.4 169.66 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 22.6 tp -100.98 125.15 47.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 p -104.27 125.9 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -147.49 156.06 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -88.43 175.44 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -75.53 103.47 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 22.73 6.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.51 95.8 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 10' ' ' TYR . 57.5 tp -42.67 124.24 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -103.37 116.62 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -72.86 122.68 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.99 121.15 19.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 49' ' ' SER . 92.3 mt -102.53 144.34 28.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.7 HG11 HD11 ' A' ' 41' ' ' LEU . 2.1 p -126.99 139.34 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.94 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 t -125.29 157.38 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.7 HD11 HG11 ' A' ' 38' ' ' VAL . 27.8 mt -145.25 166.54 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -95.86 157.53 35.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.95 1.19 19.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.428 ' CE3' ' HB3' ' A' ' 56' ' ' LEU . 86.6 m95 -111.15 156.05 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.963 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 35.0 mt-30 -134.71 145.29 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.3 t80 -122.78 117.52 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.29 -167.03 21.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.605 ' HB3' HD11 ' A' ' 36' ' ' LEU . 65.5 p -139.34 128.53 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 77.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.25 54.98 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.57 -90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -118.12 173.5 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -149.65 174.75 29.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 3.7 mm? -91.19 116.84 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -126.27 151.48 72.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.742 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -83.6 37.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -119.52 -27.93 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 14.8 pt -96.14 18.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.47 156.67 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.74 151.09 73.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.08 49.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.25 135.97 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.39 118.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CD2' HD21 ' A' ' 32' ' ' LEU . 16.5 m-85 -140.97 121.15 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 m -123.36 140.4 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.444 HG22 ' HG3' ' A' ' 63' ' ' GLN . 16.0 tt -102.1 149.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -72.97 134.92 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 63' ' ' GLN . 19.3 mt -90.55 -32.94 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -132.8 158.44 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 p -78.38 97.79 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -83.93 87.31 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -92.39 130.1 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -130.58 -179.62 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -124.75 0.56 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.37 158.02 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' SER . 28.5 t -77.95 -50.8 11.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' CYS . 63.5 p -35.57 -50.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.47 146.37 38.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.37 125.87 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -95.9 118.17 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 7.8 p90 -147.69 151.22 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -94.8 179.34 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -72.52 112.64 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.92 -32.0 5.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.5 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.5 tt -59.62 111.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -78.56 115.73 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -77.71 121.72 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.1 mm? -70.62 113.29 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.91 149.35 35.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 103.53 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.1 p -111.83 147.95 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.42 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -131.56 152.77 50.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 47' ' ' PHE . 11.3 mt -139.16 168.32 20.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.86 160.48 58.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.07 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.68 19.2 5.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -117.8 172.37 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.856 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 29.1 mt-30 -148.52 138.39 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t80 -118.89 123.07 43.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.29 -167.8 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -120.34 135.13 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.16 44.98 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.04 -49.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.57 -30.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 8.7 ttm105 -103.19 155.43 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p -115.39 118.68 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.11 -166.46 11.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.88 140.23 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.779 0.324 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CZ ' ' CB ' ' A' ' 46' ' ' GLN . 41.4 p90 -150.97 149.3 24.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 138.81 38.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.856 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.99 33.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.64 8.27 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 pt -132.02 20.17 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -137.13 142.35 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG3' HG22 ' A' ' 12' ' ' ILE . 14.2 pt20 -114.55 151.93 45.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.98 66.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.01 133.85 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.55 111.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.089 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HD2' HD21 ' A' ' 32' ' ' LEU . 25.5 m-85 -140.7 130.98 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.35 144.22 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.607 HD11 ' HA2' ' A' ' 30' ' ' GLY . 19.4 tt -103.28 157.76 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -86.53 115.28 23.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.74 -33.16 68.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -135.27 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 m -87.11 111.87 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 10.9 t80 -103.65 92.78 4.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.08 134.15 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 p -121.21 158.99 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.66 24.56 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -127.07 149.48 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -88.42 36.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 m -134.76 -34.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.09 -178.35 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 55.6 tp -112.75 135.63 53.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 p -116.56 117.59 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.0 p90 -141.42 160.79 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -107.53 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -61.36 143.32 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 82.83 -24.52 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.01 101.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 10' ' ' TYR . 5.0 tt -59.98 125.74 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 50' ' ' ALA . 6.6 mt -100.1 133.74 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -89.57 129.75 35.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.84 96.1 9.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.05 152.61 93.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.54 150.33 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.78 -53.36 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.3 t -119.67 140.26 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -132.12 175.64 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.94 160.75 29.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.97 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.76 28.12 10.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -133.31 154.33 50.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 12.1 mm-40 -130.23 144.3 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -115.24 117.17 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.84 -169.75 24.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.5 p -130.36 133.19 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 33' ' ' ILE . . . -142.01 131.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 35.73 92.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 10.37 70.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -120.97 150.2 41.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.3 p -121.29 140.64 51.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -175.36 -158.11 18.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -123.27 133.89 54.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -137.81 151.37 70.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.99 29.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -85.67 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.79 -0.23 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 8.4 pt -126.03 18.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 13' ' ' ALA . 35.6 m -134.98 143.46 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.505 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.0 pt20 -117.22 149.3 44.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.78 61.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.94 169.89 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 132.84 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.632 ' HD2' HD11 ' A' ' 32' ' ' LEU . 44.2 m-85 -136.93 143.45 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 64' ' ' PRO . 35.3 m -147.37 140.94 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.506 HD11 ' HA2' ' A' ' 30' ' ' GLY . 17.7 tt -105.37 147.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.25 122.9 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD21 ' CG ' ' A' ' 63' ' ' GLN . 8.5 mt -78.34 -30.13 47.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -127.83 167.23 16.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -85.98 120.7 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -110.56 91.29 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.22 126.34 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -132.98 157.51 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -104.66 22.31 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.34 157.4 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.05 -54.67 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -40.96 -41.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.44 160.67 23.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.7 tp -101.19 124.33 46.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 m -96.48 112.83 24.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HZ ' HD11 ' A' ' 61' ' ' ILE . 3.6 p90 -135.88 -177.18 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -131.95 163.61 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -52.81 122.38 9.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.506 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 88.87 31.5 12.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.7 t0 -115.18 78.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HD2' ' A' ' 10' ' ' TYR . 7.4 tp -39.17 115.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.783 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -96.09 105.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -61.54 123.58 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 9' ' ' GLY . 87.9 mt -76.45 105.54 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.74 153.04 85.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 100.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 41' ' ' LEU . 11.8 p -114.93 149.24 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.54 -55.69 4.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -120.32 150.47 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 38' ' ' VAL . 12.7 mt -147.68 170.1 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 154.55 56.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.75 11.13 15.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -117.58 163.75 15.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -139.66 140.17 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 56' ' ' LEU . 35.6 t80 -115.46 124.87 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.59 39.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 p -127.15 133.37 50.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 51.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.76 63.97 2.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.98 -51.05 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -117.05 161.95 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.9 p -133.57 170.93 14.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.07 166.74 11.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 47' ' ' PHE . 8.8 mp -83.17 156.9 22.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.783 ' CE1' HG21 ' A' ' 33' ' ' ILE . 35.7 p90 -152.81 152.71 28.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.28 19.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -85.06 19.7 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.12 -34.69 9.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD11 ' HZ ' ' A' ' 27' ' ' PHE . 5.0 pt -86.26 -6.27 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 59' ' ' ALA . 13.1 m -107.77 175.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' CG ' HD21 ' A' ' 14' ' ' LEU . 7.5 pt20 -145.91 151.87 46.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.75 143.11 49.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.12 164.31 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.57 129.02 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.097 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HD2' HD11 ' A' ' 32' ' ' LEU . 15.2 m-85 -145.42 122.77 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -127.91 142.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -101.94 151.07 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.702 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -87.01 104.44 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.49 -35.15 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 2.5 ptm85 -124.65 -175.2 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 p -104.35 109.57 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -99.46 93.99 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mm -107.38 121.23 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 130.37 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.63 -25.5 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.62 147.24 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.87 -37.57 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -53.95 -49.92 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.46 -179.9 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -112.73 130.81 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -102.88 129.0 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -102.21 -176.91 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -76.19 141.13 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.92 12.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.65 97.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 10' ' ' TYR . 5.5 tt -49.64 127.67 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -106.82 118.52 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -80.22 136.41 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.46 105.04 16.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.04 154.28 92.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.83 4.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.623 2.216 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.22 149.38 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.03 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.3 t -154.91 153.73 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -136.09 176.97 8.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.82 158.86 67.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 87.91 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.13 -22.41 5.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.8 151.81 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.723 0.297 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 14.0 mm100 -130.63 155.42 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.2 t80 -122.31 124.32 43.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.57 -167.35 31.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -132.79 159.1 40.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.52 107.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.23 -47.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -24.93 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -105.0 148.17 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -114.43 142.64 46.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.12 -159.82 16.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 46' ' ' GLN . 28.0 mt -108.59 143.13 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -148.64 148.76 29.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.81 28.9 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -85.73 20.32 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.0 -37.45 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.68 2.09 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.702 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.2 m -119.14 167.4 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -141.82 151.95 61.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 144.39 53.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.66 160.74 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 134.19 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -123.36 133.47 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.17 146.41 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.59 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.6 tt -105.56 154.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.11 109.07 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 63' ' ' GLN . 65.7 mt -65.26 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -144.76 154.58 42.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -60.28 148.39 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 40.6 t80 -134.18 70.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mm -69.59 126.77 30.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -121.29 130.07 53.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -74.35 -4.88 39.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 t-20 -119.24 105.22 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.9 p -37.41 -36.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -57.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.55 -177.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.6 tp -108.49 125.44 51.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -104.2 118.19 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 1.8 p90 -141.08 172.25 12.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -118.93 172.41 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -59.88 114.95 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 111.02 -39.15 3.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.88 98.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.765 ' C ' HD23 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.93 140.93 58.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.1 mp -108.57 139.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.55 114.99 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.8 125.26 24.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.4 mt -107.09 148.64 37.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.74 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 41' ' ' LEU . 7.5 p -117.31 133.87 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.75 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 t -126.27 162.5 25.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.7 179.32 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.65 154.76 37.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.68 11.09 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -120.61 158.84 26.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 6.2 mm-40 -135.35 142.74 45.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 55.9 t80 -114.86 124.12 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.0 175.14 44.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 t -107.16 132.68 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.0 131.99 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.56 62.1 6.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.49 35.18 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -149.18 157.08 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -121.39 153.55 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.22 -169.06 42.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.98 145.19 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 33' ' ' ILE . 38.9 p90 -145.75 147.84 34.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.24 14.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -77.33 49.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.58 -31.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 pt -98.02 22.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.3 142.35 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.59 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -117.95 149.36 45.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 54.3 Cg_endo -69.78 142.3 47.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.01 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.77 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 111.095 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 34' ' ' LYS . 10.5 m-85 -133.9 126.35 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 110.908 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.48 143.48 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.2 tt -104.02 157.11 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -85.45 111.32 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 63' ' ' GLN . 62.6 mt -69.42 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -140.48 160.29 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 p -71.58 129.79 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 5.0 t80 -114.55 90.54 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.7 mm -92.45 114.62 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.0 p -116.22 168.38 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -128.79 28.19 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -145.12 121.07 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.7 p -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 m -44.31 -48.81 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.49 177.08 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 tp -114.63 132.62 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -104.33 101.41 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 p90 -129.39 164.69 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -105.75 178.6 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -70.37 144.15 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.28 -32.26 2.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -54.73 96.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.9 tt -53.46 123.05 10.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 13' ' ' ALA . 11.9 mt -100.32 121.96 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -85.81 140.05 30.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.24 105.2 17.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.92 154.29 94.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.51 3.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG11 HD11 ' A' ' 41' ' ' LEU . 6.3 p -130.18 157.19 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -93.18 -62.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 135.19 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 38' ' ' VAL . 13.4 mt -132.04 166.05 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.14 152.37 55.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.48 8.0 41.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -118.05 166.99 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 19.1 mm-40 -140.25 147.3 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CB ' HD21 ' A' ' 41' ' ' LEU . 54.7 t80 -121.41 113.21 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -175.92 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 t -129.89 141.26 50.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.24 48.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 79.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.98 -48.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 4.7 ptp180 -151.4 154.34 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -108.0 152.01 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.66 -176.35 42.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.29 108.01 18.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -110.51 150.09 41.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.06 64.3 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -95.45 28.82 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.89 -15.07 12.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 11.3 pt -112.16 18.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -135.87 151.45 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.524 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -126.93 149.27 68.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 53.7 Cg_endo -69.71 142.44 48.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.76 176.86 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.23 147.8 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 111.045 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.671 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' CD2' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -135.09 134.46 40.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 m -131.85 148.0 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.31 145.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.14 124.42 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 8.5 mt -82.77 -18.45 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 154.94 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.7 p -71.41 134.88 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -125.97 108.36 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.0 mm -110.38 118.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.34 51.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.0 28.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -132.01 146.89 52.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -73.36 -46.98 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -40.16 -54.82 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.52 162.59 26.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -100.54 138.06 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.1 p -113.49 101.59 9.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 2.9 p90 -122.64 171.79 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -113.98 168.78 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 5.8 tpt180 -53.08 117.66 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.67 51.07 6.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' OD2' ' HB1' ' A' ' 50' ' ' ALA . 7.2 t0 -117.41 82.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.1 tt -40.8 110.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.01 149.07 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -103.56 114.47 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' HA3' ' A' ' 9' ' ' GLY . 72.0 mt -69.84 112.96 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -90.56 150.2 42.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 93.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 41' ' ' LEU . 6.4 p -100.08 142.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.89 53.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -151.44 144.28 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 ' CD1' HG11 ' A' ' 38' ' ' VAL . 8.2 mt -128.99 172.33 11.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.25 157.96 47.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.668 0.747 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.6 -21.35 5.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.54 154.59 17.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.707 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-30 -137.04 131.72 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 58.7 t80 -103.86 134.12 47.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 175.38 45.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t -123.62 137.37 54.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -104.54 57.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.96 74.02 0.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.2 -61.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -131.29 164.96 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 p -117.96 159.17 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.84 168.37 20.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.19 159.07 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -152.99 153.27 29.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.93 13.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -77.43 47.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -130.0 -41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 17' ' ' TYR . 7.2 pt -85.98 14.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.1 155.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.5 pt20 -138.13 152.9 72.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 141.78 46.28 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.33 -75.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.61 138.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.72 . . . . 0.0 111.056 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -141.62 120.33 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.405 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 64' ' ' PRO . 16.9 m -120.95 144.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 30' ' ' GLY . 16.9 tt -107.7 160.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -88.74 143.15 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.95 -32.65 10.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -128.42 176.86 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -88.67 122.12 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -116.11 95.75 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.86 126.69 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -110.99 178.07 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -121.02 -4.41 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -113.77 177.04 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.27 -32.09 13.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.2 m -50.6 -47.54 58.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.89 172.24 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 50' ' ' ALA . 21.1 tp -110.7 130.51 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -96.53 117.56 31.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.2 p90 -148.84 148.53 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -96.17 -176.44 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -71.57 140.12 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.98 -24.35 11.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 137.63 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 10' ' ' TYR . 6.7 tp -96.84 129.89 44.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.949 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.9 mp -104.86 112.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.2 ttpt -66.69 124.87 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.45 95.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 49' ' ' SER . 71.4 mt -73.59 153.61 89.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 110.99 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -124.86 142.01 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -151.16 153.73 35.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD11 HG11 ' A' ' 38' ' ' VAL . 90.8 mt -137.26 170.19 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 3.4 mm-40 -96.91 163.03 21.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.5 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.7 15.44 2.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -135.72 149.74 49.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.659 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 10.0 mm100 -134.0 162.71 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -133.65 112.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' LYS . . . -160.47 156.76 28.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD11 ' A' ' 36' ' ' LEU . 90.0 p -85.69 143.31 28.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -161.34 108.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 37.7 17.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.11 32.09 74.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -151.58 133.55 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -96.63 142.75 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.76 164.41 37.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.3 mm? -93.4 127.48 39.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.949 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.8 p90 -133.01 152.58 80.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.97 43.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -93.56 26.81 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.61 -28.09 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 pt -95.27 13.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 13' ' ' ALA . 16.2 m -129.96 164.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG3' HG22 ' A' ' 12' ' ' ILE . 13.3 pt20 -134.18 152.31 78.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.8 Cg_endo -69.74 144.26 53.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.92 176.64 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.79 147.6 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.734 . . . . 0.0 111.075 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.512 ' C ' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.42 124.63 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.726 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.3 tt -103.45 157.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.36 138.62 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.1 mt -93.06 -37.77 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.598 ' CD ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -132.79 151.62 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -58.41 131.93 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -118.81 87.59 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 18' ' ' ILE . 12.8 mm -94.02 122.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.35 124.72 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.75 34.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.67 165.44 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 t -103.55 -12.1 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 p -88.9 -23.98 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.01 165.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 50' ' ' ALA . 11.0 tp -98.76 142.21 30.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -115.26 112.53 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -133.6 167.32 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -113.98 139.06 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -38.6 145.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.726 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 84.35 -24.85 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 27.2 t0 -72.39 147.32 46.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 3.3 tt -100.88 128.38 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.779 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.8 mp -98.2 100.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -54.51 126.16 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 9' ' ' GLY . 74.9 mt -80.24 94.63 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 13.3 mt -67.97 151.84 96.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.25 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.874 HG11 HD12 ' A' ' 41' ' ' LEU . 7.2 p -101.42 162.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -81.45 -51.38 8.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -148.16 148.63 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.874 HD12 HG11 ' A' ' 38' ' ' VAL . 13.6 mt -151.89 166.98 29.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.1 mm-40 -95.86 163.07 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.9 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.29 -4.39 4.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -119.6 134.56 55.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 8.3 mm-40 -122.48 136.34 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 36' ' ' LEU . 86.4 t80 -104.78 138.84 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.85 177.81 42.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' ' 36' ' ' LEU . 86.7 p -118.38 135.89 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -135.65 109.92 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.72 -43.58 2.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.05 -30.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 54' ' ' SER . 11.6 ttm180 -97.81 150.44 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 83.0 p -108.74 142.26 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -166.31 179.88 40.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 HD21 ' A' ' 41' ' ' LEU . 31.0 mt -105.07 123.34 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.7 p90 -122.33 152.14 60.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.656 0.741 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.86 16.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -83.62 38.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.65 -9.86 9.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.598 HD12 ' CD ' ' A' ' 15' ' ' ARG . 5.3 pt -118.28 6.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.4 m -121.03 142.62 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -115.87 152.94 48.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.33 50.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.43 152.61 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.84 160.0 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.066 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 32' ' ' LEU . 22.7 m-85 -146.11 132.61 19.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 110.941 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 64' ' ' PRO . 26.6 m -130.27 151.52 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.623 HD11 ' HA2' ' A' ' 30' ' ' GLY . 21.0 tt -109.76 150.14 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.54 132.79 42.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD21 ' CG ' ' A' ' 63' ' ' GLN . 32.2 mt -91.36 -29.77 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.07 156.1 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -74.06 103.23 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.66 90.24 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.11 118.99 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 155.81 45.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.17 -28.76 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.2 m-20 -39.28 156.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.3 t -100.31 -4.92 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -110.35 22.25 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ASN . 41.4 mt -140.2 174.15 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -115.29 136.24 53.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -112.75 109.09 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -129.53 165.4 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -105.05 165.0 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -59.63 140.38 56.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 81.32 -15.04 25.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.67 111.4 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 10' ' ' TYR . 15.3 tp -62.82 132.95 53.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 57' ' ' PHE . 20.7 mt -110.33 115.27 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -74.77 123.27 24.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.56 92.8 5.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.9 149.27 96.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.93 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 41' ' ' LEU . 7.4 p -99.29 153.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -74.52 -48.83 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -147.8 158.44 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.4 mt -150.43 166.85 28.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.0 mm-40 -94.82 163.05 23.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.8 Cg_endo -69.71 92.1 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.48 -27.37 5.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -87.42 151.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.64 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 7.8 mm100 -135.84 140.96 44.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -113.28 132.48 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.87 174.31 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.4 t -109.11 146.04 34.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.47 74.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.99 -57.12 0.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.49 -33.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -94.83 135.72 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -112.24 127.18 55.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.75 -167.0 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.14 112.72 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.7 p90 -115.06 152.28 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.22 47.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -94.61 20.26 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.17 6.11 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.1 pt -130.13 10.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.38 155.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.593 ' CG ' HD21 ' A' ' 14' ' ' LEU . 4.0 pt20 -128.86 152.43 79.01 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.74 143.64 51.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.12 136.97 27.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 129.33 23.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.9 123.62 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.19 146.49 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 tt -108.85 159.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -83.66 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 61' ' ' ILE . 13.3 mt -89.55 -39.91 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.2 ptp180 -128.96 160.38 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -75.59 107.3 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 61' ' ' ILE . 13.0 t80 -98.33 79.11 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -84.64 122.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -136.48 140.53 43.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.39 35.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -123.59 157.39 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.4 m -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -42.14 -47.68 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.13 166.35 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.53 148.05 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.3 m -119.7 99.0 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 15.2 p90 -131.43 178.61 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -121.05 171.87 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -68.52 140.2 55.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.44 -1.37 88.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -85.45 128.99 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -76.93 117.95 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.6 mt -99.56 124.37 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.06 131.07 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.6 mt -83.32 112.15 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 153.0 68.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.724 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -113.05 155.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -61.68 -66.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -165.41 140.45 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -125.3 -173.83 2.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -80.96 161.56 62.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.31 18.06 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -136.88 157.65 46.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 15.5 mm-40 -143.0 154.7 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.485 ' CB ' HD21 ' A' ' 41' ' ' LEU . 89.0 t80 -124.81 124.56 42.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.73 177.87 40.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -119.27 143.38 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.87 121.84 8.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.92 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.51 -21.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -102.61 148.31 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.9 p -108.04 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.53 171.98 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.96 122.88 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.97 151.49 55.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.752 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.9 36.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -83.72 18.14 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -107.21 2.38 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.8 pt -129.89 19.29 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.8 142.11 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -118.99 152.36 51.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.36 50.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.86 141.47 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.78 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 111.113 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -80.07 137.31 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.373 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -118.09 -48.13 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.78 89.02 0.18 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -47.8 -54.12 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -87.02 163.39 17.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.8 132.61 5.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -144.71 160.42 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.21 89.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.5 m-85 -134.06 124.19 25.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.29 150.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.36 142.3 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -71.8 126.58 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD21 ' CG ' ' A' ' 63' ' ' GLN . 16.1 mt -86.51 -30.2 22.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.7 ptp180 -141.22 159.24 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 p -72.81 127.17 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -117.63 79.4 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.67 126.37 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.0 p -125.96 141.44 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.19 30.03 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -137.18 170.82 15.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.6 m -93.26 -42.01 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -51.4 -45.06 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.18 175.06 10.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.86 140.2 48.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -113.12 119.6 38.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 33' ' ' ILE . 5.0 p90 -150.94 168.32 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -108.78 177.89 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 14' ' ' LEU . 23.8 ttp180 -70.25 111.59 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.12 -30.07 6.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -58.75 106.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' TYR . 4.3 tt -60.58 134.41 57.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.712 HG21 ' CE1' ' A' ' 57' ' ' PHE . 25.7 mt -109.9 103.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -62.85 126.5 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.34 107.58 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 49' ' ' SER . 97.9 mt -84.34 153.63 62.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.697 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.04 6.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.9 p -128.32 145.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -58.85 5.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.56 143.82 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -126.85 -177.34 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.99 160.01 27.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.82 -27.93 3.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -90.39 146.26 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.665 ' O ' HD23 ' A' ' 56' ' ' LEU . 15.8 mm100 -124.5 156.42 37.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' HD21 ' A' ' 41' ' ' LEU . 75.2 t80 -129.07 125.6 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.54 -177.36 43.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 36' ' ' LEU . 2.1 m -115.82 146.99 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.05 29.15 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.66 -69.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -134.41 -31.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -96.24 148.47 22.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.8 p -122.05 135.64 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.02 -179.71 34.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 46' ' ' GLN . 22.5 mt -103.39 115.16 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HG21 ' A' ' 33' ' ' ILE . 17.9 p90 -112.27 153.37 44.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.23 49.91 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -90.78 22.67 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -113.98 1.76 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.3 pt -128.23 10.27 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.08 145.9 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.602 ' CG ' HD21 ' A' ' 14' ' ' LEU . 17.0 pt20 -124.52 150.47 64.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 146.29 59.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.52 146.36 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.89 154.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.57 144.3 45.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.37 23.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -104.21 150.08 24.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -129.0 118.69 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 t -97.49 114.23 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -41.51 154.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.6 t -168.91 151.96 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -39.38 147.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.8 94.45 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.32 152.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -86.8 142.23 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 p -79.02 162.71 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.9 116.18 6.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 m -54.69 -52.05 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.72 83.45 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.53 17.78 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t -84.74 -54.37 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 m -70.59 117.84 12.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -95.94 122.7 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -78.25 -51.78 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.01 171.53 34.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -115.55 162.09 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.71 -58.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.46 -61.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 11.4 p -92.99 -66.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 70.13 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 32' ' ' LEU . 14.0 m-85 -144.56 119.78 10.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.935 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.4 143.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.8 tt -103.55 162.97 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 30' ' ' GLY . . . -83.1 136.51 34.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.33 -28.39 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -140.24 146.28 38.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -61.92 104.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -94.86 90.97 6.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -97.66 118.85 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -97.52 178.19 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -119.28 -14.0 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -117.28 174.58 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -88.24 -34.73 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -45.81 -49.97 14.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.07 160.96 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 43.1 tp -94.04 139.48 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -116.67 122.98 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -147.44 165.08 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -103.99 178.51 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -70.62 111.83 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 13' ' ' ALA . . . 117.36 -37.17 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 102.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.8 tt -52.72 140.32 24.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 mt -120.1 102.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 135.49 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.0 mm? -80.98 105.46 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -79.73 150.26 72.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.22 7.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -133.82 138.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -129.41 160.01 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 38' ' ' VAL . 24.6 mt -146.99 164.36 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.81 157.13 67.18 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.33 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.21 13.6 8.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -121.39 146.05 47.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.278 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 39.2 mt-30 -124.98 142.25 51.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -124.2 108.32 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.83 -174.86 29.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -117.11 153.14 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.0 -38.6 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 51.55 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.32 -38.12 3.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 18.2 ptp180 -99.46 138.75 36.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.6 p -121.26 155.74 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -177.36 179.53 48.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.81 129.99 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 47.2 p90 -140.67 148.6 53.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.66 43.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.2 34.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -124.57 3.56 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 13.9 pt -126.29 23.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.5 m -141.03 148.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.7 pt20 -121.76 151.83 58.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.77 51.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.4 167.55 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.35 153.97 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 8' ' ' SER . . . -73.75 152.26 89.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 53.7 Cg_endo -69.8 2.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 68' ' ' PRO . 2.4 p30 48.68 28.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -88.7 -18.97 26.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 72' ' ' PHE . 28.3 p -109.18 132.04 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 71' ' ' SER . 35.1 p90 -34.56 122.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -77.0 -177.21 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -168.85 156.1 7.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.77 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -80.69 115.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -42.56 152.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -165.88 128.79 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.4 105.46 2.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -59.92 -54.21 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.46 146.37 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.95 47.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -168.87 170.08 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 p -136.58 169.54 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -84.77 171.71 12.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 40.92 42.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.77 61.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -157.32 146.49 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -55.6 141.78 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 71.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -141.11 151.46 43.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.846 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.67 104.98 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.7 m-85 -136.3 130.48 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.16 150.06 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.519 HD11 ' HA2' ' A' ' 30' ' ' GLY . 20.0 tt -110.07 157.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -84.22 124.57 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.79 -29.13 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -135.47 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 p -91.17 90.3 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -81.66 99.9 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 p -118.88 148.42 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -108.75 19.56 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -130.06 120.74 25.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.45 -46.02 18.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -40.43 -44.64 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.43 -176.8 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.29 137.8 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 t -109.09 125.92 52.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 5.9 p90 -150.88 149.71 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -97.6 162.58 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -53.65 141.97 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 85.18 -30.19 4.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 102.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 10' ' ' TYR . 10.5 tp -59.05 119.7 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.4 mt -92.62 113.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.93 132.27 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.23 118.0 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 49' ' ' SER . 94.8 mt -92.75 147.82 34.86 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.523 0.677 . . . . 0.0 110.967 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.319 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 41' ' ' LEU . 2.2 p -124.67 153.93 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -86.38 -46.46 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -133.57 130.83 38.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 47' ' ' PHE . 38.9 mt -123.58 171.23 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.06 156.58 46.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.83 3.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.71 -3.31 86.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -101.5 167.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.855 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 48.6 mt-30 -143.01 132.32 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 41' ' ' LEU . 79.9 t80 -105.4 118.19 35.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.55 -174.88 26.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 36' ' ' LEU . 3.0 m -127.82 119.13 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.96 96.85 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.37 65.5 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.61 32.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 15.7 mtm105 -141.01 164.21 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -136.88 133.44 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.33 -171.58 34.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 136.34 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 p90 -135.71 151.31 74.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.735 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.28 39.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -89.08 32.03 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.26 -24.66 6.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.9 20.92 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG21 ' OE1' ' A' ' 46' ' ' GLN . 28.0 m -136.49 150.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.11 150.26 62.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.77 55.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.27 177.82 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.92 139.65 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . . . -77.77 146.38 72.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.681 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 70' ' ' PHE . 27.4 t0 -126.09 138.42 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 4.4 p90 -37.22 123.02 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 t -96.1 105.04 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.02 -59.85 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.1 p -84.04 115.73 22.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -133.6 137.84 45.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -172.27 132.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -144.23 146.37 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -87.57 133.22 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 m -78.95 133.48 36.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.54 135.73 6.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.2 m -167.91 174.77 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.8 150.86 17.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.65 2.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.3 m -144.37 161.07 39.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 m -134.89 173.62 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -42.49 104.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -65.67 158.04 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.21 49.61 0.89 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -53.38 117.52 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m -108.03 -62.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 -106.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.9 m -56.48 162.25 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.37 47.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -139.38 121.29 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -117.85 142.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.7 tt -105.55 154.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -83.8 133.76 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.42 -31.0 17.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -129.48 174.58 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 m -92.11 104.18 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.51 91.49 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.4 121.29 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 146.06 51.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 26.93 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.44 158.85 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.74 -56.53 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -41.49 -44.2 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 176.04 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -119.07 139.15 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -112.13 126.96 55.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -150.08 167.73 25.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -105.11 155.59 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 ptt85 -59.4 136.04 57.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 96.08 -23.83 32.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -63.38 133.11 53.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 10' ' ' TYR . 23.1 tp -82.26 111.48 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.603 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 32.7 mt -83.2 120.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -79.86 124.79 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.62 84.46 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.91 152.42 69.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 103.12 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 41' ' ' LEU . 10.4 p -111.03 128.76 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.12 -48.58 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -158.12 148.62 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 47' ' ' PHE . 10.4 mt -131.85 175.51 9.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -91.66 156.87 42.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.65 -22.58 6.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -97.8 150.79 20.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.714 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -126.63 144.09 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.944 ' HB2' HD21 ' A' ' 41' ' ' LEU . 68.8 t80 -112.68 129.66 56.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.04 -169.9 37.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -122.3 152.35 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.29 125.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.79 47.72 46.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.09 38.65 56.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -152.47 168.93 23.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 p -134.63 155.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.71 -169.43 39.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.74 134.44 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 49.2 p90 -131.42 152.53 80.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.665 0.745 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -86.73 22.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.24 8.3 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.3 -4.32 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.4 m -112.83 149.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -123.31 153.3 65.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.07 66.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.62 136.15 27.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.6 114.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.68 145.6 69.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 54.7 Cg_endo -69.74 92.12 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.288 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.95 -177.75 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -90.72 175.11 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 p -159.67 172.79 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 73' ' ' SER . 89.2 t80 -98.65 143.63 28.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 6.2 t -104.26 162.1 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -132.7 127.3 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.31 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -88.13 131.74 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -114.65 -51.97 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 52.46 40.8 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.16 -128.28 8.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.3 t -137.59 153.68 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.7 146.09 23.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -19.58 36.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 t -52.16 135.5 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -79.65 133.53 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 61.14 42.71 11.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t 54.66 43.18 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.9 173.76 19.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -150.35 175.7 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -119.27 174.62 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.85 111.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 67' ' ' ALA . 6.2 t 39.93 50.33 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' C ' HD12 ' A' ' 35' ' ' LEU . . . -72.36 118.48 6.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.459 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -142.22 132.6 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 32' ' ' LEU . 27.4 m -128.1 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 30' ' ' GLY . 13.8 tt -107.0 157.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 123.26 29.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.42 -46.87 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -130.43 158.61 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 p -60.62 157.26 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 6.3 t80 -145.78 123.79 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -116.73 124.32 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 p -119.03 154.68 32.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -117.34 27.6 8.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.3 150.25 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 p -69.93 -40.61 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -53.93 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 45' ' ' TRP . 49.0 mt -73.27 -179.63 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 tp -122.09 138.07 54.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 p -107.08 141.22 38.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.9 p90 -171.47 166.55 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -114.01 179.84 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -65.68 139.43 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' CG1' ' A' ' 12' ' ' ILE . . . 96.32 -49.15 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -44.49 123.98 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.6 tp -90.48 126.56 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.733 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -95.0 123.44 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.91 131.59 39.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 9' ' ' GLY . 84.0 mt -80.56 91.86 5.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 49' ' ' SER . 19.7 mt -74.51 151.25 87.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -143.69 143.43 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -59.05 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 t -128.62 151.21 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 47' ' ' PHE . 17.3 mt -139.06 -177.71 5.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.29 153.71 37.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 85.99 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.48 21.37 4.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 24' ' ' LEU . 73.6 m95 -130.63 148.78 52.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 25.1 mt-30 -122.81 136.35 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.611 ' HB2' HD21 ' A' ' 41' ' ' LEU . 34.3 t80 -108.34 120.47 42.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.47 178.78 40.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.608 ' HB2' HD11 ' A' ' 36' ' ' LEU . 12.5 t -115.86 141.13 48.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.12 118.99 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.07 -77.46 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.9 30.44 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -144.99 157.16 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -123.38 129.5 51.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.71 -158.57 9.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 mt -124.0 132.19 53.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 33' ' ' ILE . 7.4 p90 -131.3 153.17 81.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.676 0.751 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.17 37.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.22 28.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.23 -38.95 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 4.0 pt -90.57 16.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.67 143.33 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -122.33 152.62 61.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.09 53.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.745 2.296 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.44 151.81 47.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 134.77 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB2' ' OG ' ' A' ' 8' ' ' SER . . . -54.71 143.96 47.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 95.8 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -96.8 119.82 35.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 47.02 37.77 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -111.23 126.11 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -141.02 168.86 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 p -168.07 115.18 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -80.0 111.44 16.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -76.91 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? 45.56 52.31 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -94.83 -11.07 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t -64.14 125.69 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.08 -136.5 3.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -82.13 167.17 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.21 179.55 16.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 162.33 42.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.2 m -155.63 160.0 40.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.5 m -145.96 132.64 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.456 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -52.24 149.21 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 p -136.46 117.71 14.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.88 76.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -92.93 122.32 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -140.62 167.09 22.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.28 -164.92 34.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.4 m -88.71 131.73 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.09 100.99 0.92 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 32' ' ' LEU . 17.3 m-85 -134.02 121.77 22.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 35' ' ' LEU . 23.2 m -118.98 139.51 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.75 151.34 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -79.23 122.97 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 63' ' ' GLN . 35.3 mt -80.05 -29.86 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -132.04 -177.03 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -98.2 125.7 43.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.55 80.66 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.4 mm -88.7 114.08 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -143.9 143.36 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -99.56 37.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -123.46 125.29 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.4 m -58.94 -43.29 91.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -46.95 -44.49 20.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.8 mt -89.45 168.43 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 50' ' ' ALA . 64.0 tp -101.79 129.89 48.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.8 p -97.17 97.78 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 3.8 p90 -132.75 158.26 42.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -104.42 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.35 132.89 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.71 -33.59 5.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.24 101.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 10' ' ' TYR . 5.8 tp -59.02 112.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.754 HG21 ' CE1' ' A' ' 57' ' ' PHE . 26.5 mt -83.37 118.17 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -76.58 122.78 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 11' ' ' VAL . 3.6 mm? -75.9 119.87 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.14 147.13 32.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.18 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.301 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -124.38 138.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -124.51 145.47 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 47' ' ' PHE . 13.6 mt -128.13 172.88 10.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.01 160.64 54.79 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 100.39 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.24 31.19 10.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -134.27 159.48 40.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.733 0.301 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.677 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 68.3 mt-30 -135.57 135.71 40.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' CB ' HD21 ' A' ' 41' ' ' LEU . 47.4 t80 -111.39 120.06 40.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.0 -173.95 34.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -114.04 137.07 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -131.91 69.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.98 46.4 1.47 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.27 -31.27 3.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -97.01 138.62 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -109.02 151.2 26.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.1 178.71 41.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 107.59 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.1 p90 -111.31 152.66 44.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.94 31.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -118.77 6.31 11.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 pt -133.14 15.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.5 m -133.05 147.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 14' ' ' LEU . 8.1 pt20 -119.35 151.75 51.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 147.3 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.99 154.05 41.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.41 136.66 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.24 143.92 62.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.96 31.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -41.87 119.4 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -69.64 146.22 51.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.9 t -140.62 149.98 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.17 149.99 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -82.86 -21.65 34.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 38.84 51.4 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -117.92 111.79 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -156.08 135.35 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 51.78 44.32 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.7 p -125.01 125.34 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.1 160.99 9.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.8 p -135.11 143.9 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.6 81.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.67 9.17 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -161.14 155.83 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -101.67 174.12 6.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -160.11 169.73 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -71.4 152.66 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.29 -61.04 6.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -102.49 126.92 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 p -151.43 161.05 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.96 -126.14 17.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -85.04 -63.19 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 10' ' ' TYR . . . 110.0 115.42 3.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 32' ' ' LEU . 9.6 m-85 -146.34 121.36 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 64' ' ' PRO . 29.4 m -122.46 140.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.1 tt -103.26 141.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.17 150.83 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 63' ' ' GLN . 5.1 mt -110.6 -33.25 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 4.9 ptp180 -124.8 166.86 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -84.74 126.17 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -118.27 98.28 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -102.78 125.34 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.74 155.62 45.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -112.68 36.82 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -128.28 155.33 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.1 p -87.15 -17.15 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -81.24 -40.91 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.27 177.11 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.3 tp -119.52 135.58 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -108.81 126.85 53.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -153.61 174.02 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -109.71 -175.25 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.9 137.98 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.14 -7.32 81.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.04 121.09 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 10' ' ' TYR . 7.5 tt -72.48 119.09 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -96.54 120.78 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -77.27 135.86 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.67 107.8 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.57 155.94 73.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 HD11 ' A' ' 41' ' ' LEU . 7.3 p -125.2 153.79 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -88.69 -57.15 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -119.88 143.73 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 38' ' ' VAL . 12.5 mt -136.08 173.9 11.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.41 151.11 37.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.56 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.88 10.21 3.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -121.7 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.725 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 41.2 mt-30 -146.7 131.73 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -103.76 123.67 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.9 33.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t -135.67 132.95 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.28 111.36 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.5 -77.35 2.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.07 17.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -123.48 148.05 46.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -118.34 134.13 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.4 162.48 24.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 157.26 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.6 p90 -151.5 152.53 30.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.4 14.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -79.37 10.99 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -96.97 5.08 51.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 8.0 pt -125.84 0.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.36 155.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' CG ' HD21 ' A' ' 14' ' ' LEU . 9.2 pt20 -119.91 150.24 50.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.44 170.33 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.23 140.65 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.13 148.07 62.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.71 99.41 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -48.58 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' SER . 22.0 p90 -106.88 -36.2 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 70' ' ' PHE . 75.2 m 34.66 49.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 49.05 46.41 22.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 3.2 t -87.21 93.44 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.69 144.07 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -111.33 147.85 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -46.11 121.5 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 78' ' ' SER . 8.8 ptp180 -95.35 -38.12 10.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 28.8 m 50.37 50.82 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.9 94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 155.7 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.926 0.393 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.1 146.0 6.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.81 55.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -98.22 36.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.8 t -46.24 -48.44 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.528 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -121.92 -51.96 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -101.68 40.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.88 116.69 1.53 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -135.91 149.94 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -164.29 116.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.21 117.35 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -126.7 170.46 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 117.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.626 ' CE1' ' CD ' ' A' ' 68' ' ' PRO . 18.0 m-85 -143.48 137.36 28.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.13 149.65 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.729 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.7 tt -107.91 155.4 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -77.76 133.86 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD21 ' HG2' ' A' ' 63' ' ' GLN . 65.8 mt -94.5 -37.05 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -132.11 157.11 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 88.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -71.65 72.72 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.32 112.73 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -116.92 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.31 20.08 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -132.53 155.96 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.99 -48.41 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -41.19 -39.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.9 mt -89.77 172.15 9.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 tp -107.49 141.34 39.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -115.16 107.42 15.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 4.8 p90 -139.13 167.7 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -113.06 151.52 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -49.28 127.99 15.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 103.67 -19.13 45.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.05 120.69 15.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.1 tp -73.48 111.81 8.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.571 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 22.1 mt -87.75 115.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -78.01 124.11 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 mt -73.61 111.19 8.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.56 153.88 55.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 107.84 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 1.7 p -122.29 138.8 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -54.53 40.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 t -153.17 161.26 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.74 179.84 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -93.58 159.06 35.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.38 6.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.03 19.33 3.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -135.73 162.53 32.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.704 0.288 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.826 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -143.2 152.84 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CB ' HD11 ' A' ' 41' ' ' LEU . 57.6 t80 -128.99 114.03 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.16 178.03 38.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 p -111.48 140.3 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.94 124.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.91 99.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.62 23.44 67.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -127.54 159.69 33.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.7 m -134.07 145.59 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.41 46.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.1 mm? -104.71 141.99 35.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 10.3 p90 -148.44 149.66 32.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.736 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.11 34.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -84.5 23.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -108.26 -20.53 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 15.6 pt -102.62 19.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.9 152.6 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 14' ' ' LEU . 6.7 pt20 -134.38 150.68 74.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.95 49.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.62 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -174.67 169.03 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.6 143.87 27.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.626 ' CD ' ' CE1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.74 -1.7 8.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 74.29 40.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -125.25 83.87 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.3 t -61.92 113.34 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' O ' ' CD2' ' A' ' 72' ' ' PHE . 20.8 p90 -98.45 85.36 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.9 t -160.38 168.18 25.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm 45.78 39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.77 156.31 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -156.31 143.11 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -86.51 175.11 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 p -97.46 -54.86 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.51 166.11 13.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.2 p -85.72 110.42 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.93 169.64 13.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 150.59 68.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 p -123.39 176.15 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -44.21 150.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.47 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -121.85 165.64 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -102.6 104.28 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.0 123.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -54.83 171.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.818 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -125.42 102.18 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.31 -90.72 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -89.81 160.63 16.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.968 0.414 . . . . 0.0 110.85 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.95 43.63 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.0 m-85 -134.21 133.48 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.27 140.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 tt -104.95 152.7 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 135.87 34.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -92.29 -19.58 22.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 1.7 ptp180 -143.05 166.15 25.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 100.41 10.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -84.48 81.31 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.81 107.48 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.98 146.15 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -94.92 21.11 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -109.44 105.14 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -22.72 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -72.24 -43.76 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.4 169.66 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 22.6 tp -100.98 125.15 47.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 p -104.27 125.9 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -147.49 156.06 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -88.43 175.44 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -75.53 103.47 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 22.73 6.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.51 95.8 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 10' ' ' TYR . 57.5 tp -42.67 124.24 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -103.37 116.62 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -72.86 122.68 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.99 121.15 19.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 49' ' ' SER . 92.3 mt -102.53 144.34 28.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.7 HG11 HD11 ' A' ' 41' ' ' LEU . 2.1 p -126.99 139.34 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.94 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 t -125.29 157.38 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.7 HD11 HG11 ' A' ' 38' ' ' VAL . 27.8 mt -145.25 166.54 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -95.86 157.53 35.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.95 1.19 19.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.428 ' CE3' ' HB3' ' A' ' 56' ' ' LEU . 86.6 m95 -111.15 156.05 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.963 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 35.0 mt-30 -134.71 145.29 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.3 t80 -122.78 117.52 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.29 -167.03 21.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.605 ' HB3' HD11 ' A' ' 36' ' ' LEU . 65.5 p -139.34 128.53 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 77.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.25 54.98 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.57 -90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -118.12 173.5 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -149.65 174.75 29.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 3.7 mm? -91.19 116.84 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -126.27 151.48 72.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.742 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -83.6 37.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -119.52 -27.93 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 14.8 pt -96.14 18.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.47 156.67 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.74 151.09 73.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.08 49.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.25 135.97 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.39 118.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.44 145.53 47.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 80.04 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -70.49 143.91 51.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -128.37 116.67 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' PHE . 70.9 m -87.02 85.98 7.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 71' ' ' SER . 89.0 t80 -35.92 97.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.9 t -54.15 142.63 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -43.6 155.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -105.63 162.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.69 146.43 42.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 77' ' ' ARG . 8.7 mtm105 43.65 53.56 5.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.6 t -96.25 -37.99 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.84 -169.94 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.7 m -56.27 119.29 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.84 -80.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.96 69.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -124.32 102.8 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 t -114.63 118.61 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -52.37 171.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 p -155.22 107.81 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 145.79 46.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -93.04 39.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -72.84 123.76 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.34 122.92 1.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -60.47 169.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.6 101.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CD2' HD21 ' A' ' 32' ' ' LEU . 16.5 m-85 -140.97 121.15 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 m -123.36 140.4 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.444 HG22 ' HG3' ' A' ' 63' ' ' GLN . 16.0 tt -102.1 149.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -72.97 134.92 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 63' ' ' GLN . 19.3 mt -90.55 -32.94 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -132.8 158.44 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 p -78.38 97.79 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -83.93 87.31 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -92.39 130.1 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -130.58 -179.62 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -124.75 0.56 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.37 158.02 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' SER . 28.5 t -77.95 -50.8 11.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' CYS . 63.5 p -35.57 -50.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.47 146.37 38.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.37 125.87 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -95.9 118.17 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 7.8 p90 -147.69 151.22 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -94.8 179.34 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -72.52 112.64 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.92 -32.0 5.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.5 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.5 tt -59.62 111.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -78.56 115.73 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -77.71 121.72 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.1 mm? -70.62 113.29 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.91 149.35 35.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 103.53 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.1 p -111.83 147.95 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.42 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -131.56 152.77 50.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 47' ' ' PHE . 11.3 mt -139.16 168.32 20.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.86 160.48 58.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.07 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.68 19.2 5.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -117.8 172.37 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.856 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 29.1 mt-30 -148.52 138.39 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t80 -118.89 123.07 43.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.29 -167.8 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -120.34 135.13 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.16 44.98 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.04 -49.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.57 -30.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 8.7 ttm105 -103.19 155.43 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p -115.39 118.68 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.11 -166.46 11.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.88 140.23 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.779 0.324 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CZ ' ' CB ' ' A' ' 46' ' ' GLN . 41.4 p90 -150.97 149.3 24.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 138.81 38.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.856 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.99 33.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.64 8.27 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 pt -132.02 20.17 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -137.13 142.35 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' HG3' HG22 ' A' ' 12' ' ' ILE . 14.2 pt20 -114.55 151.93 45.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.98 66.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.01 133.85 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.55 111.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.05 144.19 14.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' PHE . 53.9 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.51 88.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PRO . 31.7 t80 -58.77 107.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.1 p -84.59 155.72 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -83.86 141.77 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.5 p -100.52 118.44 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -43.31 -51.54 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 65.63 47.72 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -103.99 115.69 30.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -47.03 128.63 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.1 t -104.34 145.02 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.25 144.32 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -84.05 174.1 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.37 171.68 18.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 164.95 32.63 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -129.62 103.38 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t -95.25 79.26 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -96.92 136.13 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -113.9 160.16 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.53 85.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -83.3 127.76 33.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -70.3 -57.35 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.54 -149.51 18.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -60.38 149.45 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.36 119.79 5.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HD2' HD21 ' A' ' 32' ' ' LEU . 25.5 m-85 -140.7 130.98 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.35 144.22 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.607 HD11 ' HA2' ' A' ' 30' ' ' GLY . 19.4 tt -103.28 157.76 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -86.53 115.28 23.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.74 -33.16 68.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -135.27 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 m -87.11 111.87 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 10.9 t80 -103.65 92.78 4.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.08 134.15 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 p -121.21 158.99 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.66 24.56 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -127.07 149.48 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -88.42 36.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 m -134.76 -34.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.09 -178.35 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 55.6 tp -112.75 135.63 53.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 p -116.56 117.59 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.0 p90 -141.42 160.79 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -107.53 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -61.36 143.32 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 82.83 -24.52 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.01 101.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 10' ' ' TYR . 5.0 tt -59.98 125.74 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 50' ' ' ALA . 6.6 mt -100.1 133.74 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -89.57 129.75 35.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.84 96.1 9.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.05 152.61 93.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.54 150.33 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.78 -53.36 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.3 t -119.67 140.26 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -132.12 175.64 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.94 160.75 29.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.97 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.76 28.12 10.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -133.31 154.33 50.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 12.1 mm-40 -130.23 144.3 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -115.24 117.17 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.84 -169.75 24.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.5 p -130.36 133.19 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 33' ' ' ILE . . . -142.01 131.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 35.73 92.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 10.37 70.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -120.97 150.2 41.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.3 p -121.29 140.64 51.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -175.36 -158.11 18.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -123.27 133.89 54.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -137.81 151.37 70.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.99 29.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -85.67 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.79 -0.23 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 8.4 pt -126.03 18.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 13' ' ' ALA . 35.6 m -134.98 143.46 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.505 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.0 pt20 -117.22 149.3 44.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.78 61.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.94 169.89 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 132.84 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.61 57.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -38.45 7.78 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.41 148.58 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 t80 64.38 43.06 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 t -82.03 84.76 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -169.09 118.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.2 m -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -58.45 -51.64 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -79.12 84.16 5.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -80.9 161.83 24.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.47 118.79 23.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.0 p -76.69 119.38 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.2 -127.13 1.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.1 p -108.67 147.81 31.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.18 154.76 25.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.53 21.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.4 p -132.32 166.11 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.3 t -85.77 132.76 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -114.28 163.07 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 m -127.3 127.04 43.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.66 -48.49 3.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -115.31 109.59 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 t -105.57 89.57 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.92 61.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -104.67 133.9 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 35' ' ' LEU . . . -119.71 101.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.632 ' HD2' HD11 ' A' ' 32' ' ' LEU . 44.2 m-85 -136.93 143.45 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 64' ' ' PRO . 35.3 m -147.37 140.94 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.506 HD11 ' HA2' ' A' ' 30' ' ' GLY . 17.7 tt -105.37 147.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.25 122.9 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD21 ' CG ' ' A' ' 63' ' ' GLN . 8.5 mt -78.34 -30.13 47.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -127.83 167.23 16.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -85.98 120.7 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -110.56 91.29 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.22 126.34 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -132.98 157.51 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -104.66 22.31 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.34 157.4 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.05 -54.67 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -40.96 -41.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.44 160.67 23.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.7 tp -101.19 124.33 46.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 m -96.48 112.83 24.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HZ ' HD11 ' A' ' 61' ' ' ILE . 3.6 p90 -135.88 -177.18 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -131.95 163.61 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -52.81 122.38 9.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.506 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 88.87 31.5 12.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.7 t0 -115.18 78.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HD2' ' A' ' 10' ' ' TYR . 7.4 tp -39.17 115.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.783 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -96.09 105.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -61.54 123.58 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 9' ' ' GLY . 87.9 mt -76.45 105.54 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.74 153.04 85.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 100.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 41' ' ' LEU . 11.8 p -114.93 149.24 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.54 -55.69 4.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -120.32 150.47 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 38' ' ' VAL . 12.7 mt -147.68 170.1 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 154.55 56.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.75 11.13 15.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -117.58 163.75 15.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -139.66 140.17 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 56' ' ' LEU . 35.6 t80 -115.46 124.87 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.59 39.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 p -127.15 133.37 50.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 51.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.76 63.97 2.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.98 -51.05 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -117.05 161.95 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.9 p -133.57 170.93 14.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.07 166.74 11.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 47' ' ' PHE . 8.8 mp -83.17 156.9 22.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.783 ' CE1' HG21 ' A' ' 33' ' ' ILE . 35.7 p90 -152.81 152.71 28.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.28 19.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -85.06 19.7 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.12 -34.69 9.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD11 ' HZ ' ' A' ' 27' ' ' PHE . 5.0 pt -86.26 -6.27 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 59' ' ' ALA . 13.1 m -107.77 175.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' CG ' HD21 ' A' ' 14' ' ' LEU . 7.5 pt20 -145.91 151.87 46.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.75 143.11 49.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.12 164.31 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.57 129.02 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 143.99 72.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 90.03 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -48.49 163.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -87.89 172.38 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 t 67.64 35.74 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 15.5 p90 -49.27 123.58 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 t -162.03 141.92 10.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -69.49 148.16 49.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.08 -57.18 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -37.92 148.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.93 99.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 79' ' ' GLY . 76.6 p -114.18 124.73 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -34.96 139.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -157.05 130.45 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.79 153.16 36.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.34 2.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -126.15 -51.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.1 p -129.09 -43.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -45.67 111.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -57.52 125.29 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.86 155.5 27.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -167.67 144.5 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -63.13 -43.92 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.7 -167.71 37.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.9 t -89.16 -57.28 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.06 87.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HD2' HD11 ' A' ' 32' ' ' LEU . 15.2 m-85 -145.42 122.77 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -127.91 142.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -101.94 151.07 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.702 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -87.01 104.44 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.49 -35.15 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 2.5 ptm85 -124.65 -175.2 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 p -104.35 109.57 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -99.46 93.99 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mm -107.38 121.23 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 130.37 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.63 -25.5 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.62 147.24 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.87 -37.57 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -53.95 -49.92 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.46 -179.9 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -112.73 130.81 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -102.88 129.0 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -102.21 -176.91 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -76.19 141.13 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.92 12.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.65 97.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 10' ' ' TYR . 5.5 tt -49.64 127.67 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -106.82 118.52 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -80.22 136.41 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.46 105.04 16.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.04 154.28 92.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.83 4.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.623 2.216 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.22 149.38 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.03 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.3 t -154.91 153.73 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -136.09 176.97 8.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.82 158.86 67.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 87.91 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.13 -22.41 5.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.8 151.81 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.723 0.297 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 14.0 mm100 -130.63 155.42 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.2 t80 -122.31 124.32 43.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.57 -167.35 31.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -132.79 159.1 40.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.52 107.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.23 -47.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -24.93 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -105.0 148.17 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -114.43 142.64 46.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.12 -159.82 16.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 46' ' ' GLN . 28.0 mt -108.59 143.13 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -148.64 148.76 29.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.81 28.9 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -85.73 20.32 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.0 -37.45 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.68 2.09 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.702 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.2 m -119.14 167.4 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -141.82 151.95 61.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 144.39 53.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.66 160.74 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 134.19 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 69' ' ' ASP . . . -66.23 146.73 99.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.02 3.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 67' ' ' ALA . 3.6 p30 -42.18 117.59 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -43.57 130.45 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' PHE . 87.6 p -116.61 156.96 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' SER . 21.1 m-85 -35.81 -49.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' PHE . 9.0 t 35.22 54.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 141.92 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -84.91 116.44 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -47.51 95.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -85.28 91.35 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 79' ' ' GLY . 48.7 m -124.9 161.03 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -36.87 102.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.6 p -85.92 131.26 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 169.79 37.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 136.23 32.32 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -95.9 165.54 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -58.07 163.81 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -78.15 174.13 11.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -90.77 99.09 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.49 61.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -85.1 146.24 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -104.12 134.23 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.12 169.05 25.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 t -84.46 84.39 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.835 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.41 76.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -123.36 133.47 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.17 146.41 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.59 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.6 tt -105.56 154.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.11 109.07 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 63' ' ' GLN . 65.7 mt -65.26 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -144.76 154.58 42.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -60.28 148.39 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 40.6 t80 -134.18 70.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mm -69.59 126.77 30.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -121.29 130.07 53.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -74.35 -4.88 39.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 t-20 -119.24 105.22 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.9 p -37.41 -36.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -57.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.55 -177.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.6 tp -108.49 125.44 51.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -104.2 118.19 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 1.8 p90 -141.08 172.25 12.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -118.93 172.41 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -59.88 114.95 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 111.02 -39.15 3.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.88 98.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.765 ' C ' HD23 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.93 140.93 58.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.1 mp -108.57 139.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.55 114.99 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.8 125.26 24.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.4 mt -107.09 148.64 37.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.74 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 41' ' ' LEU . 7.5 p -117.31 133.87 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.75 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 t -126.27 162.5 25.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.7 179.32 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.65 154.76 37.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.68 11.09 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -120.61 158.84 26.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 6.2 mm-40 -135.35 142.74 45.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 55.9 t80 -114.86 124.12 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.0 175.14 44.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 t -107.16 132.68 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.0 131.99 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.56 62.1 6.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.49 35.18 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -149.18 157.08 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -121.39 153.55 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.22 -169.06 42.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.98 145.19 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 33' ' ' ILE . 38.9 p90 -145.75 147.84 34.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.24 14.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -77.33 49.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.58 -31.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 pt -98.02 22.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.3 142.35 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.59 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -117.95 149.36 45.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 54.3 Cg_endo -69.78 142.3 47.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.01 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.77 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.99 144.24 82.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -8.83 24.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.45 139.61 32.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -62.3 171.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -129.12 112.99 14.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -58.21 171.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -55.31 144.38 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -94.17 149.17 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.73 155.54 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -46.05 145.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -57.45 150.85 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 p -62.37 153.73 30.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -125.5 -47.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' GLY . 15.2 m -34.87 138.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.41 -161.46 11.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -135.09 172.88 12.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.8 p -99.71 173.92 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -60.75 -44.4 96.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -87.88 117.98 27.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.63 89.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -155.95 176.08 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -161.13 128.68 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.7 122.02 2.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -91.24 166.71 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.376 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.24 51.44 0.86 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 34' ' ' LYS . 10.5 m-85 -133.9 126.35 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 110.908 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.48 143.48 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.2 tt -104.02 157.11 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -85.45 111.32 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 63' ' ' GLN . 62.6 mt -69.42 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -140.48 160.29 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 p -71.58 129.79 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 5.0 t80 -114.55 90.54 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.7 mm -92.45 114.62 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.0 p -116.22 168.38 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -128.79 28.19 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -145.12 121.07 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.7 p -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 m -44.31 -48.81 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.49 177.08 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 tp -114.63 132.62 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -104.33 101.41 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 p90 -129.39 164.69 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -105.75 178.6 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -70.37 144.15 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.28 -32.26 2.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -54.73 96.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' C ' ' A' ' 32' ' ' LEU . 1.9 tt -53.46 123.05 10.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 13' ' ' ALA . 11.9 mt -100.32 121.96 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -85.81 140.05 30.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.24 105.2 17.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.92 154.29 94.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.51 3.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG11 HD11 ' A' ' 41' ' ' LEU . 6.3 p -130.18 157.19 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -93.18 -62.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 135.19 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 38' ' ' VAL . 13.4 mt -132.04 166.05 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.14 152.37 55.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.48 8.0 41.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -118.05 166.99 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 19.1 mm-40 -140.25 147.3 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CB ' HD21 ' A' ' 41' ' ' LEU . 54.7 t80 -121.41 113.21 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -175.92 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 t -129.89 141.26 50.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.24 48.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 79.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.98 -48.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 4.7 ptp180 -151.4 154.34 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -108.0 152.01 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.66 -176.35 42.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.29 108.01 18.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -110.51 150.09 41.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.06 64.3 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -95.45 28.82 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.89 -15.07 12.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 11.3 pt -112.16 18.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -135.87 151.45 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.524 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -126.93 149.27 68.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 53.7 Cg_endo -69.71 142.44 48.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.76 176.86 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.23 147.8 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.28 144.2 40.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -137.61 115.35 11.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.33 -47.82 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t 54.97 43.64 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -57.42 141.87 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.4 m -68.21 162.91 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -50.41 166.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -127.53 142.12 51.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -61.83 170.03 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -93.9 156.17 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -145.93 116.4 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 -162.51 9.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 t 52.66 43.28 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.58 61.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.61 61.03 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 m -124.55 167.34 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -42.69 147.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -50.72 -43.53 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 p -139.46 113.92 9.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.4 177.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -88.61 153.38 21.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -67.07 -57.3 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.18 54.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 146.42 49.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.671 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . 174.91 123.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.483 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' ' 68' ' ' PRO . 11.4 m-85 -135.09 134.46 40.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 m -131.85 148.0 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.31 145.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.14 124.42 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 8.5 mt -82.77 -18.45 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 154.94 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.7 p -71.41 134.88 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -125.97 108.36 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.0 mm -110.38 118.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.34 51.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.0 28.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -132.01 146.89 52.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -73.36 -46.98 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -40.16 -54.82 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.52 162.59 26.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -100.54 138.06 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.1 p -113.49 101.59 9.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 2.9 p90 -122.64 171.79 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -113.98 168.78 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 5.8 tpt180 -53.08 117.66 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.67 51.07 6.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' OD2' ' HB1' ' A' ' 50' ' ' ALA . 7.2 t0 -117.41 82.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.1 tt -40.8 110.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.01 149.07 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -103.56 114.47 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' HA3' ' A' ' 9' ' ' GLY . 72.0 mt -69.84 112.96 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -90.56 150.2 42.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 93.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 41' ' ' LEU . 6.4 p -100.08 142.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.89 53.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -151.44 144.28 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 ' CD1' HG11 ' A' ' 38' ' ' VAL . 8.2 mt -128.99 172.33 11.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.25 157.96 47.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.668 0.747 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.6 -21.35 5.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.54 154.59 17.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.707 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-30 -137.04 131.72 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 58.7 t80 -103.86 134.12 47.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 175.38 45.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t -123.62 137.37 54.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -104.54 57.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.96 74.02 0.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.2 -61.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -131.29 164.96 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 p -117.96 159.17 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.84 168.37 20.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.19 159.07 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -152.99 153.27 29.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.93 13.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -77.43 47.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -130.0 -41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 17' ' ' TYR . 7.2 pt -85.98 14.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.1 155.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.5 pt20 -138.13 152.9 72.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 141.78 46.28 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.33 -75.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.61 138.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.63 44.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.72 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.79 -6.83 19.55 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 15.9 p-10 -53.06 87.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 68' ' ' PRO . 3.6 p90 -161.69 166.95 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -136.79 136.1 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -103.2 141.2 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.7 t -100.95 -61.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -103.25 138.14 40.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.2 103.42 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -108.64 95.14 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.34 146.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 t -80.92 139.12 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.8 125.49 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.3 t -127.1 -52.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.931 0.396 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.25 146.35 6.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -78.0 104.53 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -135.16 132.58 38.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -111.34 126.79 55.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -63.11 165.82 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 131.0 51.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -47.4 -49.51 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -119.77 128.75 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.04 69.98 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.551 ' H ' ' HB2' ' A' ' 67' ' ' ALA . 32.4 m -91.05 49.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.26 81.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -141.62 120.33 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.405 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 64' ' ' PRO . 16.9 m -120.95 144.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 30' ' ' GLY . 16.9 tt -107.7 160.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -88.74 143.15 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.95 -32.65 10.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -128.42 176.86 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -88.67 122.12 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -116.11 95.75 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.86 126.69 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -110.99 178.07 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -121.02 -4.41 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -113.77 177.04 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.27 -32.09 13.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.2 m -50.6 -47.54 58.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.89 172.24 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 50' ' ' ALA . 21.1 tp -110.7 130.51 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -96.53 117.56 31.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.2 p90 -148.84 148.53 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -96.17 -176.44 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -71.57 140.12 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.98 -24.35 11.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 137.63 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 10' ' ' TYR . 6.7 tp -96.84 129.89 44.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.949 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.9 mp -104.86 112.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.2 ttpt -66.69 124.87 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.45 95.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 49' ' ' SER . 71.4 mt -73.59 153.61 89.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 110.99 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -124.86 142.01 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -151.16 153.73 35.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD11 HG11 ' A' ' 38' ' ' VAL . 90.8 mt -137.26 170.19 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 3.4 mm-40 -96.91 163.03 21.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.5 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.7 15.44 2.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -135.72 149.74 49.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.659 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 10.0 mm100 -134.0 162.71 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -133.65 112.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' LYS . . . -160.47 156.76 28.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD11 ' A' ' 36' ' ' LEU . 90.0 p -85.69 143.31 28.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -161.34 108.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 37.7 17.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.11 32.09 74.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -151.58 133.55 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -96.63 142.75 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.76 164.41 37.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.3 mm? -93.4 127.48 39.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.949 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.8 p90 -133.01 152.58 80.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.97 43.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -93.56 26.81 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.61 -28.09 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 pt -95.27 13.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 13' ' ' ALA . 16.2 m -129.96 164.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG3' HG22 ' A' ' 12' ' ' ILE . 13.3 pt20 -134.18 152.31 78.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.8 Cg_endo -69.74 144.26 53.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.92 176.64 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.79 147.6 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HB2' ' H ' ' A' ' 8' ' ' SER . . . -63.55 144.39 97.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.734 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 81.92 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.707 2.272 . . . . 0.0 112.272 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -50.8 136.15 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -117.36 174.09 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.3 t -66.64 -40.25 88.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -124.19 88.42 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -132.61 98.48 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 tptm 68.99 42.29 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.17 101.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.07 137.83 33.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -41.47 124.45 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ARG . 63.8 p -34.77 -57.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.0 133.76 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 t -99.07 -175.47 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.58 164.79 15.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.82 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.8 p -128.92 165.1 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -68.72 171.42 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.528 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -119.18 122.66 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 p -79.39 105.56 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.43 139.99 14.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -96.86 101.21 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -72.61 101.64 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.53 43.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.0 m -60.16 168.09 2.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.512 ' C ' HD12 ' A' ' 35' ' ' LEU . . . -144.64 108.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 39.7 m-85 -136.42 124.63 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.726 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.3 tt -103.45 157.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.36 138.62 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.1 mt -93.06 -37.77 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.598 ' CD ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -132.79 151.62 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -58.41 131.93 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -118.81 87.59 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 18' ' ' ILE . 12.8 mm -94.02 122.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.35 124.72 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.75 34.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.67 165.44 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 t -103.55 -12.1 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 p -88.9 -23.98 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.01 165.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 50' ' ' ALA . 11.0 tp -98.76 142.21 30.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -115.26 112.53 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -133.6 167.32 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -113.98 139.06 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -38.6 145.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.726 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 84.35 -24.85 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 27.2 t0 -72.39 147.32 46.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 3.3 tt -100.88 128.38 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.779 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.8 mp -98.2 100.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -54.51 126.16 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 9' ' ' GLY . 74.9 mt -80.24 94.63 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 13.3 mt -67.97 151.84 96.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.25 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.874 HG11 HD12 ' A' ' 41' ' ' LEU . 7.2 p -101.42 162.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -81.45 -51.38 8.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -148.16 148.63 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.874 HD12 HG11 ' A' ' 38' ' ' VAL . 13.6 mt -151.89 166.98 29.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.1 mm-40 -95.86 163.07 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.9 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.29 -4.39 4.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -119.6 134.56 55.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 8.3 mm-40 -122.48 136.34 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 36' ' ' LEU . 86.4 t80 -104.78 138.84 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.85 177.81 42.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' ' 36' ' ' LEU . 86.7 p -118.38 135.89 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -135.65 109.92 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.72 -43.58 2.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.05 -30.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 54' ' ' SER . 11.6 ttm180 -97.81 150.44 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 83.0 p -108.74 142.26 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -166.31 179.88 40.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 HD21 ' A' ' 41' ' ' LEU . 31.0 mt -105.07 123.34 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.7 p90 -122.33 152.14 60.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.656 0.741 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.86 16.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -83.62 38.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.65 -9.86 9.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.598 HD12 ' CD ' ' A' ' 15' ' ' ARG . 5.3 pt -118.28 6.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.4 m -121.03 142.62 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -115.87 152.94 48.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.33 50.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.43 152.61 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.84 160.0 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.26 151.3 95.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.71 2.06 3.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 73.46 38.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.11 148.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.9 m -102.76 58.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.87 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.1 t -85.43 148.5 25.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.18 110.02 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -96.86 95.77 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -62.2 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -45.59 104.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -49.93 -57.49 7.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.03 -179.15 24.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -174.99 139.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 146.95 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 93.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 p -54.95 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -111.74 -179.84 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -116.6 137.54 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p 41.12 42.14 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.66 140.45 6.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -93.55 119.21 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -103.12 -18.72 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.2 131.96 2.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.1 p -131.98 176.07 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.38 104.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 32' ' ' LEU . 22.7 m-85 -146.11 132.61 19.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 110.941 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 64' ' ' PRO . 26.6 m -130.27 151.52 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.623 HD11 ' HA2' ' A' ' 30' ' ' GLY . 21.0 tt -109.76 150.14 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.54 132.79 42.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD21 ' CG ' ' A' ' 63' ' ' GLN . 32.2 mt -91.36 -29.77 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.07 156.1 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -74.06 103.23 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.66 90.24 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.11 118.99 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 155.81 45.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.17 -28.76 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.2 m-20 -39.28 156.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.3 t -100.31 -4.92 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -110.35 22.25 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ASN . 41.4 mt -140.2 174.15 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -115.29 136.24 53.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -112.75 109.09 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -129.53 165.4 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -105.05 165.0 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -59.63 140.38 56.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 81.32 -15.04 25.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.67 111.4 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 10' ' ' TYR . 15.3 tp -62.82 132.95 53.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 57' ' ' PHE . 20.7 mt -110.33 115.27 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -74.77 123.27 24.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.56 92.8 5.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.9 149.27 96.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.93 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 41' ' ' LEU . 7.4 p -99.29 153.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -74.52 -48.83 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -147.8 158.44 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.4 mt -150.43 166.85 28.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.0 mm-40 -94.82 163.05 23.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.8 Cg_endo -69.71 92.1 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.48 -27.37 5.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -87.42 151.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.64 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 7.8 mm100 -135.84 140.96 44.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -113.28 132.48 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.87 174.31 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.4 t -109.11 146.04 34.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.47 74.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.99 -57.12 0.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.49 -33.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -94.83 135.72 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -112.24 127.18 55.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.75 -167.0 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.14 112.72 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.7 p90 -115.06 152.28 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.22 47.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -94.61 20.26 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.17 6.11 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.1 pt -130.13 10.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.38 155.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.593 ' CG ' HD21 ' A' ' 14' ' ' LEU . 4.0 pt20 -128.86 152.43 79.01 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.74 143.64 51.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.12 136.97 27.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 129.33 23.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.66 143.91 47.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -12.35 32.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -50.49 143.41 9.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.1 t80 60.3 52.73 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 m -142.46 110.75 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.34 86.53 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -80.93 167.81 19.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -97.08 -54.96 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.06 159.96 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -139.58 144.15 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -42.63 121.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.8 p -122.56 165.66 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.24 -56.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.8 p -93.66 -58.69 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.97 -159.29 24.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.55 9.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -55.46 178.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 p -129.19 -35.68 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p -154.66 171.66 19.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t 53.58 45.13 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.36 44.59 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -122.19 81.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -42.14 117.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.49 93.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -96.58 141.44 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.52 105.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.9 123.62 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.19 146.49 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 tt -108.85 159.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -83.66 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 61' ' ' ILE . 13.3 mt -89.55 -39.91 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.2 ptp180 -128.96 160.38 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -75.59 107.3 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 61' ' ' ILE . 13.0 t80 -98.33 79.11 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -84.64 122.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -136.48 140.53 43.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.39 35.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -123.59 157.39 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.4 m -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -42.14 -47.68 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.13 166.35 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.53 148.05 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.3 m -119.7 99.0 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 15.2 p90 -131.43 178.61 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -121.05 171.87 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -68.52 140.2 55.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.44 -1.37 88.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -85.45 128.99 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -76.93 117.95 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.6 mt -99.56 124.37 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.06 131.07 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.6 mt -83.32 112.15 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 153.0 68.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.724 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -113.05 155.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -61.68 -66.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -165.41 140.45 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -125.3 -173.83 2.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -80.96 161.56 62.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.31 18.06 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -136.88 157.65 46.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 15.5 mm-40 -143.0 154.7 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.485 ' CB ' HD21 ' A' ' 41' ' ' LEU . 89.0 t80 -124.81 124.56 42.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.73 177.87 40.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -119.27 143.38 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.87 121.84 8.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.92 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.51 -21.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -102.61 148.31 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.9 p -108.04 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.53 171.98 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.96 122.88 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.97 151.49 55.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.752 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.9 36.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -83.72 18.14 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -107.21 2.38 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.8 pt -129.89 19.29 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.8 142.11 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -118.99 152.36 51.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.36 50.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.86 141.47 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.78 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.61 145.98 98.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.79 14.73 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' PHE . 26.0 t70 -58.38 120.13 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 70.6 m-85 -34.73 144.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -160.4 141.81 12.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -46.08 171.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.4 m -147.45 134.76 20.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -119.47 127.4 53.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 68.38 43.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.12 121.41 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -109.72 102.81 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -157.48 -176.1 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.5 -59.92 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -67.73 120.52 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.18 -159.21 10.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.45 60.46 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -152.5 143.99 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -65.62 133.07 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.5 m-85 -134.06 124.19 25.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.29 150.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.36 142.3 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -71.8 126.58 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD21 ' CG ' ' A' ' 63' ' ' GLN . 16.1 mt -86.51 -30.2 22.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.7 ptp180 -141.22 159.24 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 p -72.81 127.17 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -117.63 79.4 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.67 126.37 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.0 p -125.96 141.44 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.19 30.03 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -137.18 170.82 15.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.6 m -93.26 -42.01 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -51.4 -45.06 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.18 175.06 10.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.86 140.2 48.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -113.12 119.6 38.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 33' ' ' ILE . 5.0 p90 -150.94 168.32 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -108.78 177.89 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 14' ' ' LEU . 23.8 ttp180 -70.25 111.59 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.12 -30.07 6.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -58.75 106.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' TYR . 4.3 tt -60.58 134.41 57.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.712 HG21 ' CE1' ' A' ' 57' ' ' PHE . 25.7 mt -109.9 103.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -62.85 126.5 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.34 107.58 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 49' ' ' SER . 97.9 mt -84.34 153.63 62.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.697 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.04 6.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.9 p -128.32 145.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -58.85 5.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.56 143.82 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -126.85 -177.34 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.99 160.01 27.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.82 -27.93 3.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -90.39 146.26 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.665 ' O ' HD23 ' A' ' 56' ' ' LEU . 15.8 mm100 -124.5 156.42 37.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' HD21 ' A' ' 41' ' ' LEU . 75.2 t80 -129.07 125.6 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.54 -177.36 43.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 36' ' ' LEU . 2.1 m -115.82 146.99 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.05 29.15 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.66 -69.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -134.41 -31.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -96.24 148.47 22.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.8 p -122.05 135.64 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.02 -179.71 34.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 46' ' ' GLN . 22.5 mt -103.39 115.16 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HG21 ' A' ' 33' ' ' ILE . 17.9 p90 -112.27 153.37 44.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.23 49.91 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -90.78 22.67 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -113.98 1.76 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.3 pt -128.23 10.27 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.08 145.9 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.602 ' CG ' HD21 ' A' ' 14' ' ' LEU . 17.0 pt20 -124.52 150.47 64.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 146.29 59.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.52 146.36 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.89 154.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 32' ' ' LEU . 14.0 m-85 -144.56 119.78 10.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.935 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.4 143.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.8 tt -103.55 162.97 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 30' ' ' GLY . . . -83.1 136.51 34.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.33 -28.39 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -140.24 146.28 38.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -61.92 104.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -94.86 90.97 6.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -97.66 118.85 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -97.52 178.19 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -119.28 -14.0 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -117.28 174.58 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -88.24 -34.73 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -45.81 -49.97 14.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.07 160.96 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 43.1 tp -94.04 139.48 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -116.67 122.98 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -147.44 165.08 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -103.99 178.51 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -70.62 111.83 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 13' ' ' ALA . . . 117.36 -37.17 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 102.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.8 tt -52.72 140.32 24.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 mt -120.1 102.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 135.49 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.0 mm? -80.98 105.46 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -79.73 150.26 72.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.22 7.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -133.82 138.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -129.41 160.01 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 38' ' ' VAL . 24.6 mt -146.99 164.36 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.81 157.13 67.18 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.33 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.21 13.6 8.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -121.39 146.05 47.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.278 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 39.2 mt-30 -124.98 142.25 51.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -124.2 108.32 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.83 -174.86 29.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -117.11 153.14 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.0 -38.6 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 51.55 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.32 -38.12 3.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 18.2 ptp180 -99.46 138.75 36.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.6 p -121.26 155.74 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -177.36 179.53 48.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.81 129.99 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 47.2 p90 -140.67 148.6 53.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.66 43.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.2 34.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -124.57 3.56 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 13.9 pt -126.29 23.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.5 m -141.03 148.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.7 pt20 -121.76 151.83 58.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.77 51.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.4 167.55 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.35 153.97 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 111.074 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.7 m-85 -136.3 130.48 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.16 150.06 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.519 HD11 ' HA2' ' A' ' 30' ' ' GLY . 20.0 tt -110.07 157.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -84.22 124.57 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.79 -29.13 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -135.47 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 p -91.17 90.3 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -81.66 99.9 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 p -118.88 148.42 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -108.75 19.56 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -130.06 120.74 25.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.45 -46.02 18.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -40.43 -44.64 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.43 -176.8 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.29 137.8 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 t -109.09 125.92 52.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 5.9 p90 -150.88 149.71 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -97.6 162.58 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -53.65 141.97 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 85.18 -30.19 4.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 102.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 10' ' ' TYR . 10.5 tp -59.05 119.7 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.4 mt -92.62 113.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.93 132.27 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.23 118.0 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 49' ' ' SER . 94.8 mt -92.75 147.82 34.86 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.523 0.677 . . . . 0.0 110.967 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.319 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 41' ' ' LEU . 2.2 p -124.67 153.93 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -86.38 -46.46 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -133.57 130.83 38.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 47' ' ' PHE . 38.9 mt -123.58 171.23 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.06 156.58 46.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.83 3.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.71 -3.31 86.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -101.5 167.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.855 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 48.6 mt-30 -143.01 132.32 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 41' ' ' LEU . 79.9 t80 -105.4 118.19 35.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.55 -174.88 26.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 36' ' ' LEU . 3.0 m -127.82 119.13 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.96 96.85 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.37 65.5 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.61 32.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 15.7 mtm105 -141.01 164.21 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -136.88 133.44 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.33 -171.58 34.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 136.34 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 p90 -135.71 151.31 74.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.735 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.28 39.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -89.08 32.03 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.26 -24.66 6.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.9 20.92 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG21 ' OE1' ' A' ' 46' ' ' GLN . 28.0 m -136.49 150.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.11 150.26 62.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.77 55.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.27 177.82 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.92 139.65 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.681 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -139.38 121.29 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -117.85 142.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.7 tt -105.55 154.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -83.8 133.76 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.42 -31.0 17.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -129.48 174.58 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 m -92.11 104.18 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.51 91.49 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.4 121.29 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 146.06 51.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 26.93 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.44 158.85 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.74 -56.53 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -41.49 -44.2 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 176.04 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -119.07 139.15 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -112.13 126.96 55.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -150.08 167.73 25.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -105.11 155.59 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 ptt85 -59.4 136.04 57.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 96.08 -23.83 32.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -63.38 133.11 53.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 10' ' ' TYR . 23.1 tp -82.26 111.48 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.603 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 32.7 mt -83.2 120.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -79.86 124.79 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.62 84.46 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.91 152.42 69.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 103.12 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 41' ' ' LEU . 10.4 p -111.03 128.76 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.12 -48.58 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -158.12 148.62 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 47' ' ' PHE . 10.4 mt -131.85 175.51 9.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -91.66 156.87 42.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.65 -22.58 6.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -97.8 150.79 20.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.714 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -126.63 144.09 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.944 ' HB2' HD21 ' A' ' 41' ' ' LEU . 68.8 t80 -112.68 129.66 56.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.04 -169.9 37.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -122.3 152.35 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.29 125.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.79 47.72 46.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.09 38.65 56.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -152.47 168.93 23.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 p -134.63 155.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.71 -169.43 39.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.74 134.44 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 49.2 p90 -131.42 152.53 80.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.665 0.745 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -86.73 22.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.24 8.3 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.3 -4.32 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.4 m -112.83 149.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -123.31 153.3 65.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.07 66.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.62 136.15 27.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.6 114.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.094 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.446 ' C ' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -142.22 132.6 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 32' ' ' LEU . 27.4 m -128.1 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 30' ' ' GLY . 13.8 tt -107.0 157.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 123.26 29.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.42 -46.87 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -130.43 158.61 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 p -60.62 157.26 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 6.3 t80 -145.78 123.79 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -116.73 124.32 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 p -119.03 154.68 32.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -117.34 27.6 8.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.3 150.25 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 p -69.93 -40.61 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -53.93 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 45' ' ' TRP . 49.0 mt -73.27 -179.63 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 tp -122.09 138.07 54.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 p -107.08 141.22 38.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.9 p90 -171.47 166.55 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -114.01 179.84 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -65.68 139.43 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' CG1' ' A' ' 12' ' ' ILE . . . 96.32 -49.15 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -44.49 123.98 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.6 tp -90.48 126.56 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.733 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -95.0 123.44 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.91 131.59 39.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 9' ' ' GLY . 84.0 mt -80.56 91.86 5.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 49' ' ' SER . 19.7 mt -74.51 151.25 87.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -143.69 143.43 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -59.05 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 t -128.62 151.21 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 47' ' ' PHE . 17.3 mt -139.06 -177.71 5.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.29 153.71 37.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 85.99 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.48 21.37 4.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 24' ' ' LEU . 73.6 m95 -130.63 148.78 52.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 25.1 mt-30 -122.81 136.35 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.611 ' HB2' HD21 ' A' ' 41' ' ' LEU . 34.3 t80 -108.34 120.47 42.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.47 178.78 40.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.608 ' HB2' HD11 ' A' ' 36' ' ' LEU . 12.5 t -115.86 141.13 48.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.12 118.99 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.07 -77.46 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.9 30.44 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -144.99 157.16 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -123.38 129.5 51.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.71 -158.57 9.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 mt -124.0 132.19 53.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 33' ' ' ILE . 7.4 p90 -131.3 153.17 81.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.676 0.751 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.17 37.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.22 28.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.23 -38.95 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 4.0 pt -90.57 16.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.67 143.33 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -122.33 152.62 61.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.09 53.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.745 2.296 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.44 151.81 47.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 134.77 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 32' ' ' LEU . 17.3 m-85 -134.02 121.77 22.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 35' ' ' LEU . 23.2 m -118.98 139.51 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.75 151.34 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -79.23 122.97 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 63' ' ' GLN . 35.3 mt -80.05 -29.86 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -132.04 -177.03 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -98.2 125.7 43.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.55 80.66 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 28' ' ' HIS . 9.4 mm -88.7 114.08 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -143.9 143.36 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -99.56 37.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -123.46 125.29 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.4 m -58.94 -43.29 91.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -46.95 -44.49 20.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.8 mt -89.45 168.43 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 50' ' ' ALA . 64.0 tp -101.79 129.89 48.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.8 p -97.17 97.78 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 3.8 p90 -132.75 158.26 42.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CD2' HD11 ' A' ' 18' ' ' ILE . 54.6 m80 -104.42 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.35 132.89 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.71 -33.59 5.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.24 101.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 10' ' ' TYR . 5.8 tp -59.02 112.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.754 HG21 ' CE1' ' A' ' 57' ' ' PHE . 26.5 mt -83.37 118.17 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -76.58 122.78 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 11' ' ' VAL . 3.6 mm? -75.9 119.87 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.14 147.13 32.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.18 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.301 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -124.38 138.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -124.51 145.47 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 47' ' ' PHE . 13.6 mt -128.13 172.88 10.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.01 160.64 54.79 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 100.39 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.24 31.19 10.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -134.27 159.48 40.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.733 0.301 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.677 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 68.3 mt-30 -135.57 135.71 40.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' CB ' HD21 ' A' ' 41' ' ' LEU . 47.4 t80 -111.39 120.06 40.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.0 -173.95 34.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -114.04 137.07 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -131.91 69.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.98 46.4 1.47 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.27 -31.27 3.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -97.01 138.62 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -109.02 151.2 26.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.1 178.71 41.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 107.59 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.1 p90 -111.31 152.66 44.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.94 31.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -118.77 6.31 11.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 pt -133.14 15.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.5 m -133.05 147.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 14' ' ' LEU . 8.1 pt20 -119.35 151.75 51.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 147.3 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.99 154.05 41.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.41 136.66 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 32' ' ' LEU . 9.6 m-85 -146.34 121.36 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 64' ' ' PRO . 29.4 m -122.46 140.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.1 tt -103.26 141.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.17 150.83 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 63' ' ' GLN . 5.1 mt -110.6 -33.25 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 4.9 ptp180 -124.8 166.86 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -84.74 126.17 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -118.27 98.28 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -102.78 125.34 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.74 155.62 45.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -112.68 36.82 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -128.28 155.33 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.1 p -87.15 -17.15 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -81.24 -40.91 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.27 177.11 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.3 tp -119.52 135.58 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -108.81 126.85 53.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -153.61 174.02 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -109.71 -175.25 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.9 137.98 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.14 -7.32 81.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.04 121.09 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 10' ' ' TYR . 7.5 tt -72.48 119.09 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -96.54 120.78 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -77.27 135.86 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.67 107.8 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.57 155.94 73.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 HD11 ' A' ' 41' ' ' LEU . 7.3 p -125.2 153.79 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -88.69 -57.15 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -119.88 143.73 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 38' ' ' VAL . 12.5 mt -136.08 173.9 11.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.41 151.11 37.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.56 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.88 10.21 3.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -121.7 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.725 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 41.2 mt-30 -146.7 131.73 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -103.76 123.67 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.9 33.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t -135.67 132.95 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.28 111.36 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.5 -77.35 2.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.07 17.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -123.48 148.05 46.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -118.34 134.13 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.4 162.48 24.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 157.26 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.6 p90 -151.5 152.53 30.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.4 14.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -79.37 10.99 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -96.97 5.08 51.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 8.0 pt -125.84 0.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.36 155.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.4 ' CG ' HD21 ' A' ' 14' ' ' LEU . 9.2 pt20 -119.91 150.24 50.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.44 170.33 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.23 140.65 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.471 ' CD2' HD21 ' A' ' 32' ' ' LEU . 18.0 m-85 -143.48 137.36 28.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.13 149.65 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.729 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.7 tt -107.91 155.4 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.528 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -77.76 133.86 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD21 ' HG2' ' A' ' 63' ' ' GLN . 65.8 mt -94.5 -37.05 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -132.11 157.11 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 88.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -71.65 72.72 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.32 112.73 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -116.92 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.31 20.08 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -132.53 155.96 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.99 -48.41 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -41.19 -39.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.9 mt -89.77 172.15 9.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 tp -107.49 141.34 39.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -115.16 107.42 15.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 4.8 p90 -139.13 167.7 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -113.06 151.52 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -49.28 127.99 15.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 103.67 -19.13 45.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.05 120.69 15.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.1 tp -73.48 111.81 8.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.571 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 22.1 mt -87.75 115.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -78.01 124.11 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 mt -73.61 111.19 8.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.56 153.88 55.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 107.84 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 1.7 p -122.29 138.8 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -54.53 40.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 t -153.17 161.26 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.74 179.84 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -93.58 159.06 35.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.38 6.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.03 19.33 3.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -135.73 162.53 32.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.704 0.288 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.826 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -143.2 152.84 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CB ' HD11 ' A' ' 41' ' ' LEU . 57.6 t80 -128.99 114.03 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.16 178.03 38.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 p -111.48 140.3 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.94 124.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.91 99.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.62 23.44 67.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -127.54 159.69 33.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.7 m -134.07 145.59 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.41 46.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.1 mm? -104.71 141.99 35.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 10.3 p90 -148.44 149.66 32.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.736 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.11 34.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -84.5 23.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -108.26 -20.53 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 15.6 pt -102.62 19.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.9 152.6 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 14' ' ' LEU . 6.7 pt20 -134.38 150.68 74.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.95 49.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.62 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -174.67 169.03 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.0 m-85 -134.21 133.48 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.27 140.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 tt -104.95 152.7 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 135.87 34.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -92.29 -19.58 22.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 1.7 ptp180 -143.05 166.15 25.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 100.41 10.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -84.48 81.31 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.81 107.48 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.98 146.15 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -94.92 21.11 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -109.44 105.14 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -22.72 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -72.24 -43.76 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.4 169.66 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 22.6 tp -100.98 125.15 47.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 p -104.27 125.9 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -147.49 156.06 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -88.43 175.44 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -75.53 103.47 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 22.73 6.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.51 95.8 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 10' ' ' TYR . 57.5 tp -42.67 124.24 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -103.37 116.62 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -72.86 122.68 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.99 121.15 19.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 49' ' ' SER . 92.3 mt -102.53 144.34 28.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.7 HG11 HD11 ' A' ' 41' ' ' LEU . 2.1 p -126.99 139.34 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.94 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 t -125.29 157.38 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.7 HD11 HG11 ' A' ' 38' ' ' VAL . 27.8 mt -145.25 166.54 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -95.86 157.53 35.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.95 1.19 19.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.428 ' CE3' ' HB3' ' A' ' 56' ' ' LEU . 86.6 m95 -111.15 156.05 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.963 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 35.0 mt-30 -134.71 145.29 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.3 t80 -122.78 117.52 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.29 -167.03 21.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.605 ' HB3' HD11 ' A' ' 36' ' ' LEU . 65.5 p -139.34 128.53 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 77.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.25 54.98 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.57 -90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -118.12 173.5 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -149.65 174.75 29.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 3.7 mm? -91.19 116.84 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -126.27 151.48 72.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.742 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -83.6 37.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -119.52 -27.93 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 14.8 pt -96.14 18.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.47 156.67 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.74 151.09 73.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.08 49.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.25 135.97 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.39 118.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CD2' HD21 ' A' ' 32' ' ' LEU . 16.5 m-85 -140.97 121.15 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 m -123.36 140.4 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.444 HG22 ' HG3' ' A' ' 63' ' ' GLN . 16.0 tt -102.1 149.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -72.97 134.92 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 63' ' ' GLN . 19.3 mt -90.55 -32.94 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -132.8 158.44 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 p -78.38 97.79 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -83.93 87.31 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -92.39 130.1 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -130.58 -179.62 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -124.75 0.56 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.37 158.02 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' SER . 28.5 t -77.95 -50.8 11.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' CYS . 63.5 p -35.57 -50.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.47 146.37 38.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.37 125.87 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -95.9 118.17 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 7.8 p90 -147.69 151.22 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -94.8 179.34 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -72.52 112.64 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.92 -32.0 5.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.5 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.5 tt -59.62 111.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -78.56 115.73 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -77.71 121.72 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.1 mm? -70.62 113.29 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.91 149.35 35.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 103.53 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.1 p -111.83 147.95 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.42 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -131.56 152.77 50.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 47' ' ' PHE . 11.3 mt -139.16 168.32 20.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.86 160.48 58.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.07 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.68 19.2 5.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -117.8 172.37 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.856 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 29.1 mt-30 -148.52 138.39 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t80 -118.89 123.07 43.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.29 -167.8 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -120.34 135.13 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.16 44.98 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.04 -49.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.57 -30.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 8.7 ttm105 -103.19 155.43 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p -115.39 118.68 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.11 -166.46 11.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.88 140.23 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.779 0.324 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CZ ' ' CB ' ' A' ' 46' ' ' GLN . 41.4 p90 -150.97 149.3 24.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 138.81 38.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.856 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.99 33.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.64 8.27 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 pt -132.02 20.17 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -137.13 142.35 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.2 pt20 -114.55 151.93 45.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.98 66.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.01 133.85 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.55 111.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.089 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HD2' HD21 ' A' ' 32' ' ' LEU . 25.5 m-85 -140.7 130.98 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.35 144.22 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.607 HD11 ' HA2' ' A' ' 30' ' ' GLY . 19.4 tt -103.28 157.76 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -86.53 115.28 23.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.74 -33.16 68.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -135.27 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 m -87.11 111.87 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 10.9 t80 -103.65 92.78 4.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.08 134.15 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 p -121.21 158.99 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.66 24.56 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -127.07 149.48 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -88.42 36.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 m -134.76 -34.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.09 -178.35 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 55.6 tp -112.75 135.63 53.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 p -116.56 117.59 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.0 p90 -141.42 160.79 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -107.53 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -61.36 143.32 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 82.83 -24.52 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.01 101.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 10' ' ' TYR . 5.0 tt -59.98 125.74 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 50' ' ' ALA . 6.6 mt -100.1 133.74 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -89.57 129.75 35.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.84 96.1 9.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.05 152.61 93.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.54 150.33 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.78 -53.36 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.3 t -119.67 140.26 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -132.12 175.64 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.94 160.75 29.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.97 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.76 28.12 10.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -133.31 154.33 50.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 12.1 mm-40 -130.23 144.3 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -115.24 117.17 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.84 -169.75 24.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.5 p -130.36 133.19 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 33' ' ' ILE . . . -142.01 131.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 35.73 92.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 10.37 70.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -120.97 150.2 41.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.3 p -121.29 140.64 51.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -175.36 -158.11 18.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -123.27 133.89 54.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -137.81 151.37 70.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.99 29.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -85.67 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.79 -0.23 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 8.4 pt -126.03 18.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 13' ' ' ALA . 35.6 m -134.98 143.46 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.505 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.0 pt20 -117.22 149.3 44.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.78 61.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.94 169.89 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 132.84 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.632 ' HD2' HD11 ' A' ' 32' ' ' LEU . 44.2 m-85 -136.93 143.45 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 64' ' ' PRO . 35.3 m -147.37 140.94 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.506 HD11 ' HA2' ' A' ' 30' ' ' GLY . 17.7 tt -105.37 147.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.25 122.9 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD21 ' CG ' ' A' ' 63' ' ' GLN . 8.5 mt -78.34 -30.13 47.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -127.83 167.23 16.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -85.98 120.7 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -110.56 91.29 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.22 126.34 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -132.98 157.51 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -104.66 22.31 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.34 157.4 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.05 -54.67 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -40.96 -41.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.44 160.67 23.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.7 tp -101.19 124.33 46.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 m -96.48 112.83 24.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HZ ' HD11 ' A' ' 61' ' ' ILE . 3.6 p90 -135.88 -177.18 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -131.95 163.61 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -52.81 122.38 9.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.506 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 88.87 31.5 12.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.7 t0 -115.18 78.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HD2' ' A' ' 10' ' ' TYR . 7.4 tp -39.17 115.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.783 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -96.09 105.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -61.54 123.58 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 9' ' ' GLY . 87.9 mt -76.45 105.54 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.74 153.04 85.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 100.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 41' ' ' LEU . 11.8 p -114.93 149.24 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.54 -55.69 4.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -120.32 150.47 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 38' ' ' VAL . 12.7 mt -147.68 170.1 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 154.55 56.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.75 11.13 15.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -117.58 163.75 15.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -139.66 140.17 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 56' ' ' LEU . 35.6 t80 -115.46 124.87 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.59 39.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 p -127.15 133.37 50.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 51.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.76 63.97 2.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.98 -51.05 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -117.05 161.95 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.9 p -133.57 170.93 14.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.07 166.74 11.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 47' ' ' PHE . 8.8 mp -83.17 156.9 22.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.783 ' CE1' HG21 ' A' ' 33' ' ' ILE . 35.7 p90 -152.81 152.71 28.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.28 19.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -85.06 19.7 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.12 -34.69 9.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD11 ' HZ ' ' A' ' 27' ' ' PHE . 5.0 pt -86.26 -6.27 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 59' ' ' ALA . 13.1 m -107.77 175.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' CG ' HD21 ' A' ' 14' ' ' LEU . 7.5 pt20 -145.91 151.87 46.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.75 143.11 49.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.12 164.31 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.57 129.02 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.097 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HD2' HD11 ' A' ' 32' ' ' LEU . 15.2 m-85 -145.42 122.77 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -127.91 142.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -101.94 151.07 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.702 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -87.01 104.44 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.49 -35.15 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 2.5 ptm85 -124.65 -175.2 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 p -104.35 109.57 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -99.46 93.99 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mm -107.38 121.23 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 130.37 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.63 -25.5 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.62 147.24 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.87 -37.57 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -53.95 -49.92 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.46 -179.9 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -112.73 130.81 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -102.88 129.0 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -102.21 -176.91 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -76.19 141.13 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.92 12.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.65 97.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 10' ' ' TYR . 5.5 tt -49.64 127.67 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -106.82 118.52 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -80.22 136.41 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.46 105.04 16.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.04 154.28 92.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.83 4.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.623 2.216 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.22 149.38 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.03 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.3 t -154.91 153.73 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -136.09 176.97 8.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.82 158.86 67.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 87.91 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.13 -22.41 5.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.8 151.81 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.723 0.297 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 14.0 mm100 -130.63 155.42 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.2 t80 -122.31 124.32 43.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.57 -167.35 31.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -132.79 159.1 40.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.52 107.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.23 -47.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -24.93 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -105.0 148.17 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -114.43 142.64 46.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.12 -159.82 16.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 46' ' ' GLN . 28.0 mt -108.59 143.13 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -148.64 148.76 29.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.81 28.9 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -85.73 20.32 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.0 -37.45 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.68 2.09 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.702 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.2 m -119.14 167.4 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -141.82 151.95 61.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 144.39 53.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.66 160.74 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 134.19 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -123.36 133.47 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.17 146.41 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.59 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.6 tt -105.56 154.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.11 109.07 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 63' ' ' GLN . 65.7 mt -65.26 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -144.76 154.58 42.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -60.28 148.39 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 40.6 t80 -134.18 70.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mm -69.59 126.77 30.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -121.29 130.07 53.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -74.35 -4.88 39.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 t-20 -119.24 105.22 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.9 p -37.41 -36.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -57.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.55 -177.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.6 tp -108.49 125.44 51.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -104.2 118.19 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 1.8 p90 -141.08 172.25 12.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -118.93 172.41 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -59.88 114.95 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 111.02 -39.15 3.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.88 98.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.93 140.93 58.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.1 mp -108.57 139.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.55 114.99 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.8 125.26 24.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.4 mt -107.09 148.64 37.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.74 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 41' ' ' LEU . 7.5 p -117.31 133.87 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.75 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 t -126.27 162.5 25.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.7 179.32 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.65 154.76 37.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.68 11.09 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -120.61 158.84 26.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 6.2 mm-40 -135.35 142.74 45.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 55.9 t80 -114.86 124.12 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.0 175.14 44.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 t -107.16 132.68 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.0 131.99 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.56 62.1 6.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.49 35.18 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -149.18 157.08 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -121.39 153.55 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.22 -169.06 42.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.98 145.19 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 33' ' ' ILE . 38.9 p90 -145.75 147.84 34.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.24 14.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -77.33 49.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.58 -31.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 pt -98.02 22.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.3 142.35 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.59 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -117.95 149.36 45.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 54.3 Cg_endo -69.78 142.3 47.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.01 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.77 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 111.095 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 34' ' ' LYS . 10.5 m-85 -133.9 126.35 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 110.908 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.48 143.48 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.2 tt -104.02 157.11 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -85.45 111.32 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 63' ' ' GLN . 62.6 mt -69.42 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -140.48 160.29 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 p -71.58 129.79 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 5.0 t80 -114.55 90.54 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.7 mm -92.45 114.62 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.0 p -116.22 168.38 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -128.79 28.19 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -145.12 121.07 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.7 p -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 m -44.31 -48.81 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.49 177.08 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 tp -114.63 132.62 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -104.33 101.41 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 p90 -129.39 164.69 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -105.75 178.6 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -70.37 144.15 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.28 -32.26 2.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -54.73 96.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 32' ' ' LEU . 1.9 tt -53.46 123.05 10.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 13' ' ' ALA . 11.9 mt -100.32 121.96 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -85.81 140.05 30.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.24 105.2 17.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.92 154.29 94.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.51 3.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG11 HD11 ' A' ' 41' ' ' LEU . 6.3 p -130.18 157.19 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -93.18 -62.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 135.19 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 38' ' ' VAL . 13.4 mt -132.04 166.05 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.14 152.37 55.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.48 8.0 41.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -118.05 166.99 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 19.1 mm-40 -140.25 147.3 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CB ' HD21 ' A' ' 41' ' ' LEU . 54.7 t80 -121.41 113.21 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -175.92 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 t -129.89 141.26 50.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.24 48.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 79.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.98 -48.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 4.7 ptp180 -151.4 154.34 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -108.0 152.01 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.66 -176.35 42.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.29 108.01 18.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -110.51 150.09 41.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.06 64.3 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -95.45 28.82 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.89 -15.07 12.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 11.3 pt -112.16 18.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -135.87 151.45 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.524 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -126.93 149.27 68.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 53.7 Cg_endo -69.71 142.44 48.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.76 176.86 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.23 147.8 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 111.045 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.671 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' CD2' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -135.09 134.46 40.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 m -131.85 148.0 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.31 145.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.14 124.42 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 8.5 mt -82.77 -18.45 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 154.94 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.7 p -71.41 134.88 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -125.97 108.36 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.0 mm -110.38 118.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.34 51.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.0 28.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -132.01 146.89 52.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -73.36 -46.98 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -40.16 -54.82 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.52 162.59 26.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -100.54 138.06 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.1 p -113.49 101.59 9.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 2.9 p90 -122.64 171.79 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -113.98 168.78 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 5.8 tpt180 -53.08 117.66 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.67 51.07 6.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' OD2' ' HB1' ' A' ' 50' ' ' ALA . 7.2 t0 -117.41 82.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.1 tt -40.8 110.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.01 149.07 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -103.56 114.47 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' HA3' ' A' ' 9' ' ' GLY . 72.0 mt -69.84 112.96 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -90.56 150.2 42.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 93.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 41' ' ' LEU . 6.4 p -100.08 142.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.89 53.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -151.44 144.28 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 ' CD1' HG11 ' A' ' 38' ' ' VAL . 8.2 mt -128.99 172.33 11.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.25 157.96 47.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.668 0.747 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.6 -21.35 5.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.54 154.59 17.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.707 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-30 -137.04 131.72 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 58.7 t80 -103.86 134.12 47.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 175.38 45.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t -123.62 137.37 54.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -104.54 57.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.96 74.02 0.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.2 -61.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -131.29 164.96 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 p -117.96 159.17 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.84 168.37 20.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.19 159.07 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -152.99 153.27 29.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.93 13.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -77.43 47.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -130.0 -41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 17' ' ' TYR . 7.2 pt -85.98 14.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.1 155.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.5 pt20 -138.13 152.9 72.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 141.78 46.28 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.33 -75.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.61 138.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.72 . . . . 0.0 111.056 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -141.62 120.33 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.405 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 64' ' ' PRO . 16.9 m -120.95 144.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 30' ' ' GLY . 16.9 tt -107.7 160.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -88.74 143.15 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.95 -32.65 10.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -128.42 176.86 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -88.67 122.12 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -116.11 95.75 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.86 126.69 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -110.99 178.07 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -121.02 -4.41 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -113.77 177.04 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.27 -32.09 13.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.2 m -50.6 -47.54 58.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.89 172.24 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 50' ' ' ALA . 21.1 tp -110.7 130.51 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -96.53 117.56 31.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.2 p90 -148.84 148.53 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -96.17 -176.44 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -71.57 140.12 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.98 -24.35 11.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 137.63 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 10' ' ' TYR . 6.7 tp -96.84 129.89 44.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.949 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.9 mp -104.86 112.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.2 ttpt -66.69 124.87 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.45 95.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 49' ' ' SER . 71.4 mt -73.59 153.61 89.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 110.99 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -124.86 142.01 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -151.16 153.73 35.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD11 HG11 ' A' ' 38' ' ' VAL . 90.8 mt -137.26 170.19 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 3.4 mm-40 -96.91 163.03 21.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.5 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.7 15.44 2.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -135.72 149.74 49.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.659 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 10.0 mm100 -134.0 162.71 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -133.65 112.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' LYS . . . -160.47 156.76 28.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD11 ' A' ' 36' ' ' LEU . 90.0 p -85.69 143.31 28.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -161.34 108.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 37.7 17.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.11 32.09 74.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -151.58 133.55 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -96.63 142.75 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.76 164.41 37.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.3 mm? -93.4 127.48 39.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.949 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.8 p90 -133.01 152.58 80.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.97 43.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -93.56 26.81 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.61 -28.09 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 pt -95.27 13.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 13' ' ' ALA . 16.2 m -129.96 164.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG3' HG22 ' A' ' 12' ' ' ILE . 13.3 pt20 -134.18 152.31 78.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.8 Cg_endo -69.74 144.26 53.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.92 176.64 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.79 147.6 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.734 . . . . 0.0 111.075 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.512 ' C ' HD12 ' A' ' 35' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.42 124.63 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.726 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.3 tt -103.45 157.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.36 138.62 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.1 mt -93.06 -37.77 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.598 ' CD ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -132.79 151.62 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -58.41 131.93 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -118.81 87.59 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 18' ' ' ILE . 12.8 mm -94.02 122.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.35 124.72 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.75 34.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.67 165.44 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 t -103.55 -12.1 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 p -88.9 -23.98 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.01 165.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 50' ' ' ALA . 11.0 tp -98.76 142.21 30.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -115.26 112.53 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -133.6 167.32 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -113.98 139.06 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -38.6 145.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.726 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 84.35 -24.85 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 27.2 t0 -72.39 147.32 46.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 3.3 tt -100.88 128.38 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.779 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.8 mp -98.2 100.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -54.51 126.16 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 9' ' ' GLY . 74.9 mt -80.24 94.63 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 13.3 mt -67.97 151.84 96.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.25 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.874 HG11 HD12 ' A' ' 41' ' ' LEU . 7.2 p -101.42 162.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.578 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -81.45 -51.38 8.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -148.16 148.63 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.874 HD12 HG11 ' A' ' 38' ' ' VAL . 13.6 mt -151.89 166.98 29.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.1 mm-40 -95.86 163.07 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.9 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.29 -4.39 4.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -119.6 134.56 55.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 8.3 mm-40 -122.48 136.34 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 36' ' ' LEU . 86.4 t80 -104.78 138.84 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.85 177.81 42.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' ' 36' ' ' LEU . 86.7 p -118.38 135.89 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -135.65 109.92 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.72 -43.58 2.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.05 -30.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 54' ' ' SER . 11.6 ttm180 -97.81 150.44 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 83.0 p -108.74 142.26 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -166.31 179.88 40.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 HD21 ' A' ' 41' ' ' LEU . 31.0 mt -105.07 123.34 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.7 p90 -122.33 152.14 60.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.656 0.741 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.86 16.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -83.62 38.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.65 -9.86 9.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.598 HD12 ' CD ' ' A' ' 15' ' ' ARG . 5.3 pt -118.28 6.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.4 m -121.03 142.62 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -115.87 152.94 48.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.33 50.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.43 152.61 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.84 160.0 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.066 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 32' ' ' LEU . 22.7 m-85 -146.11 132.61 19.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 110.941 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 64' ' ' PRO . 26.6 m -130.27 151.52 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.623 HD11 ' HA2' ' A' ' 30' ' ' GLY . 21.0 tt -109.76 150.14 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.54 132.79 42.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD21 ' CG ' ' A' ' 63' ' ' GLN . 32.2 mt -91.36 -29.77 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.07 156.1 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -74.06 103.23 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.66 90.24 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.11 118.99 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 155.81 45.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.17 -28.76 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.2 m-20 -39.28 156.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.3 t -100.31 -4.92 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -110.35 22.25 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ASN . 41.4 mt -140.2 174.15 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -115.29 136.24 53.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -112.75 109.09 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -129.53 165.4 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.05 165.0 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -59.63 140.38 56.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.623 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 81.32 -15.04 25.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.67 111.4 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 10' ' ' TYR . 15.3 tp -62.82 132.95 53.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 57' ' ' PHE . 20.7 mt -110.33 115.27 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -74.77 123.27 24.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.56 92.8 5.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.9 149.27 96.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.93 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 41' ' ' LEU . 7.4 p -99.29 153.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -74.52 -48.83 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -147.8 158.44 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.4 mt -150.43 166.85 28.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.0 mm-40 -94.82 163.05 23.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.8 Cg_endo -69.71 92.1 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.48 -27.37 5.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -87.42 151.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.64 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 7.8 mm100 -135.84 140.96 44.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -113.28 132.48 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.87 174.31 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.4 t -109.11 146.04 34.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.47 74.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.99 -57.12 0.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.49 -33.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -94.83 135.72 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -112.24 127.18 55.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.75 -167.0 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.14 112.72 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.7 p90 -115.06 152.28 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.22 47.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -94.61 20.26 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.17 6.11 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.1 pt -130.13 10.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.38 155.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.593 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.0 pt20 -128.86 152.43 79.01 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.74 143.64 51.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.12 136.97 27.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 129.33 23.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.9 123.62 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.19 146.49 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 tt -108.85 159.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -83.66 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 61' ' ' ILE . 13.3 mt -89.55 -39.91 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.2 ptp180 -128.96 160.38 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -75.59 107.3 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 61' ' ' ILE . 13.0 t80 -98.33 79.11 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -84.64 122.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -136.48 140.53 43.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.39 35.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -123.59 157.39 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.4 m -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -42.14 -47.68 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.13 166.35 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.53 148.05 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.3 m -119.7 99.0 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 15.2 p90 -131.43 178.61 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -121.05 171.87 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -68.52 140.2 55.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.44 -1.37 88.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -85.45 128.99 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -76.93 117.95 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.6 mt -99.56 124.37 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.06 131.07 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.6 mt -83.32 112.15 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 153.0 68.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.724 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -113.05 155.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -61.68 -66.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -165.41 140.45 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -125.3 -173.83 2.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -80.96 161.56 62.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.31 18.06 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -136.88 157.65 46.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 15.5 mm-40 -143.0 154.7 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.485 ' CB ' HD21 ' A' ' 41' ' ' LEU . 89.0 t80 -124.81 124.56 42.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.73 177.87 40.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -119.27 143.38 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.87 121.84 8.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.92 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.51 -21.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -102.61 148.31 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.9 p -108.04 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.53 171.98 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.96 122.88 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.97 151.49 55.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.752 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.9 36.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -83.72 18.14 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -107.21 2.38 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.8 pt -129.89 19.29 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.8 142.11 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -118.99 152.36 51.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.36 50.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.86 141.47 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.78 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 111.113 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -80.07 137.31 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.373 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -118.09 -48.13 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.78 89.02 0.18 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -47.8 -54.12 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -87.02 163.39 17.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.8 132.61 5.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -144.71 160.42 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.21 89.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.5 m-85 -134.06 124.19 25.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.381 . . . . 0.0 110.949 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.29 150.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 tt -114.36 142.3 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -71.8 126.58 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD21 ' CG ' ' A' ' 63' ' ' GLN . 16.1 mt -86.51 -30.2 22.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.7 ptp180 -141.22 159.24 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 p -72.81 127.17 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -117.63 79.4 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.67 126.37 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.0 p -125.96 141.44 51.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -106.19 30.03 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -137.18 170.82 15.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.6 m -93.26 -42.01 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -51.4 -45.06 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.18 175.06 10.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.8 tp -113.86 140.2 48.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -113.12 119.6 38.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 33' ' ' ILE . 5.0 p90 -150.94 168.32 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -108.78 177.89 4.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 14' ' ' LEU . 23.8 ttp180 -70.25 111.59 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.12 -30.07 6.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -58.75 106.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 10' ' ' TYR . 4.3 tt -60.58 134.41 57.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.712 HG21 ' CE1' ' A' ' 57' ' ' PHE . 25.7 mt -109.9 103.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -62.85 126.5 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.34 107.58 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 HD11 ' OG ' ' A' ' 49' ' ' SER . 97.9 mt -84.34 153.63 62.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.697 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.04 6.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.9 p -128.32 145.79 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -58.85 5.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 t -149.56 143.82 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -126.85 -177.34 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.99 160.01 27.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.82 -27.93 3.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -90.39 146.26 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.665 ' O ' HD23 ' A' ' 56' ' ' LEU . 15.8 mm100 -124.5 156.42 37.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' HB2' HD21 ' A' ' 41' ' ' LEU . 75.2 t80 -129.07 125.6 37.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.54 -177.36 43.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.412 ' OG ' HD11 ' A' ' 36' ' ' LEU . 2.1 m -115.82 146.99 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.831 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.05 29.15 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.66 -69.63 0.51 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -134.41 -31.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -96.24 148.47 22.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.8 p -122.05 135.64 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.02 -179.71 34.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 46' ' ' GLN . 22.5 mt -103.39 115.16 30.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HG21 ' A' ' 33' ' ' ILE . 17.9 p90 -112.27 153.37 44.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.655 0.74 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.23 49.91 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -90.78 22.67 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -113.98 1.76 14.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.461 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.3 pt -128.23 10.27 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.08 145.9 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.602 ' CG ' HD21 ' A' ' 14' ' ' LEU . 17.0 pt20 -124.52 150.47 64.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 146.29 59.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.52 146.36 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.89 154.74 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.57 144.3 45.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -8.37 23.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -104.21 150.08 24.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -129.0 118.69 23.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 t -97.49 114.23 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -41.51 154.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.6 t -168.91 151.96 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -39.38 147.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.8 94.45 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.32 152.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -86.8 142.23 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 p -79.02 162.71 25.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.9 116.18 6.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 m -54.69 -52.05 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.72 83.45 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 129.53 17.78 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t -84.74 -54.37 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 m -70.59 117.84 12.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -95.94 122.7 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -78.25 -51.78 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.01 171.53 34.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -115.55 162.09 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.71 -58.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.46 -61.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 11.4 p -92.99 -66.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 70.13 0.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CD2' HD21 ' A' ' 32' ' ' LEU . 14.0 m-85 -144.56 119.78 10.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.935 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -121.4 143.4 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.8 tt -103.55 162.97 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 30' ' ' GLY . . . -83.1 136.51 34.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.33 -28.39 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -140.24 146.28 38.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -61.92 104.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -94.86 90.97 6.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.9 mm -97.66 118.85 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -97.52 178.19 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -119.28 -14.0 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -117.28 174.58 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -88.24 -34.73 17.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.9 m -45.81 -49.97 14.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.07 160.96 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 43.1 tp -94.04 139.48 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -116.67 122.98 46.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -147.44 165.08 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -103.99 178.51 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -70.62 111.83 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 13' ' ' ALA . . . 117.36 -37.17 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.1 102.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.8 tt -52.72 140.32 24.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 mt -120.1 102.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 135.49 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.0 mm? -80.98 105.46 12.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -79.73 150.26 72.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.22 7.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -133.82 138.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.57 -65.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -129.41 160.01 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 38' ' ' VAL . 24.6 mt -146.99 164.36 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.81 157.13 67.18 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.33 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.21 13.6 8.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -121.39 146.05 47.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.278 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.883 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 39.2 mt-30 -124.98 142.25 51.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -124.2 108.32 12.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.83 -174.86 29.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -117.11 153.14 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.0 -38.6 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 51.55 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.32 -38.12 3.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 18.2 ptp180 -99.46 138.75 36.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.6 p -121.26 155.74 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -177.36 179.53 48.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.81 129.99 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 47.2 p90 -140.67 148.6 53.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.733 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.66 43.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.2 34.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -124.57 3.56 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 13.9 pt -126.29 23.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.5 m -141.03 148.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.7 pt20 -121.76 151.83 58.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.77 51.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.24 . . . . 0.0 112.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.4 167.55 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.35 153.97 36.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 8' ' ' SER . . . -73.75 152.26 89.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 53.7 Cg_endo -69.8 2.21 3.76 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 68' ' ' PRO . 2.4 p30 48.68 28.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -88.7 -18.97 26.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 72' ' ' PHE . 28.3 p -109.18 132.04 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 71' ' ' SER . 35.1 p90 -34.56 122.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -77.0 -177.21 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -168.85 156.1 7.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.77 108.18 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -80.69 115.92 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? -42.56 152.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 t -165.88 128.79 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.4 105.46 2.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -59.92 -54.21 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.46 146.37 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.95 47.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -168.87 170.08 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 p -136.58 169.54 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -84.77 171.71 12.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 40.92 42.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.77 61.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -157.32 146.49 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -55.6 141.78 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 71.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -141.11 151.46 43.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 0.0 110.846 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.67 104.98 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CD2' HD21 ' A' ' 32' ' ' LEU . 10.7 m-85 -136.3 130.48 33.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.2 m -125.16 150.06 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.519 HD11 ' HA2' ' A' ' 30' ' ' GLY . 20.0 tt -110.07 157.03 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -84.22 124.57 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.79 -29.13 32.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -135.47 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 64.4 p -91.17 90.3 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -81.66 99.9 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.1 mm -101.48 120.61 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 p -118.88 148.42 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -108.75 19.56 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -130.06 120.74 25.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -46.45 -46.02 18.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -40.43 -44.64 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.43 -176.8 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.29 137.8 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 t -109.09 125.92 52.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 5.9 p90 -150.88 149.71 30.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -97.6 162.58 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -53.65 141.97 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 85.18 -30.19 4.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 102.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 10' ' ' TYR . 10.5 tp -59.05 119.7 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.4 mt -92.62 113.63 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -73.93 132.27 42.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.23 118.0 25.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD11 ' OG ' ' A' ' 49' ' ' SER . 94.8 mt -92.75 147.82 34.86 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.523 0.677 . . . . 0.0 110.967 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.82 3.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.25 . . . . 0.0 112.319 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.658 HG11 HD21 ' A' ' 41' ' ' LEU . 2.2 p -124.67 153.93 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -86.38 -46.46 10.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -133.57 130.83 38.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 47' ' ' PHE . 38.9 mt -123.58 171.23 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -90.06 156.58 46.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 113.83 3.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.71 -3.31 86.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -101.5 167.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.855 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 48.6 mt-30 -143.01 132.32 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 41' ' ' LEU . 79.9 t80 -105.4 118.19 35.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.55 -174.88 26.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 36' ' ' LEU . 3.0 m -127.82 119.13 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.96 96.85 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.37 65.5 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.61 32.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 15.7 mtm105 -141.01 164.21 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -136.88 133.44 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.33 -171.58 34.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 136.34 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 40.7 p90 -135.71 151.31 74.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.735 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.28 39.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -89.08 32.03 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.26 -24.66 6.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.6 pt -100.9 20.92 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG21 ' OE1' ' A' ' 46' ' ' GLN . 28.0 m -136.49 150.08 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.11 150.26 62.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.77 55.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.727 2.284 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.27 177.82 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.92 139.65 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . . . -77.77 146.38 72.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.681 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.388 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 70' ' ' PHE . 27.4 t0 -126.09 138.42 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 4.4 p90 -37.22 123.02 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 t -96.1 105.04 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.02 -59.85 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.1 p -84.04 115.73 22.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -133.6 137.84 45.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -172.27 132.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -144.23 146.37 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -87.57 133.22 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 m -78.95 133.48 36.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.54 135.73 6.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.2 m -167.91 174.77 7.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -167.8 150.86 17.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -178.65 2.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.3 m -144.37 161.07 39.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 m -134.89 173.62 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -42.49 104.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -65.67 158.04 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.21 49.61 0.89 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -53.38 117.52 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m -108.03 -62.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 -106.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.9 m -56.48 162.25 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.37 47.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' HB3' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -139.38 121.29 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.0 m -117.85 142.53 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.7 tt -105.55 154.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -83.8 133.76 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.4 mt -90.42 -31.0 17.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -129.48 174.58 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 m -92.11 104.18 16.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -95.51 91.49 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.9 mm -106.4 121.29 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 146.06 51.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 26.93 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.44 158.85 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.74 -56.53 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -41.49 -44.2 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 176.04 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -119.07 139.15 52.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -112.13 126.96 55.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -150.08 167.73 25.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -105.11 155.59 18.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.3 ptt85 -59.4 136.04 57.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.657 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 96.08 -23.83 32.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -63.38 133.11 53.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.838 0.351 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 10' ' ' TYR . 23.1 tp -82.26 111.48 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.603 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 32.7 mt -83.2 120.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -79.86 124.79 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.62 84.46 6.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.91 152.42 69.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.632 0.73 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 103.12 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 41' ' ' LEU . 10.4 p -111.03 128.76 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.12 -48.58 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -158.12 148.62 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 47' ' ' PHE . 10.4 mt -131.85 175.51 9.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -91.66 156.87 42.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.691 0.758 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.65 -22.58 6.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -97.8 150.79 20.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.714 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -126.63 144.09 51.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.944 ' HB2' HD21 ' A' ' 41' ' ' LEU . 68.8 t80 -112.68 129.66 56.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.04 -169.9 37.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -122.3 152.35 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.29 125.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.79 47.72 46.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.09 38.65 56.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -152.47 168.93 23.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 p -134.63 155.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.71 -169.43 39.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.9 mt -107.74 134.44 50.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 49.2 p90 -131.42 152.53 80.67 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.665 0.745 . . . . 0.0 110.85 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.32 19.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -86.73 22.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.24 8.3 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.3 -4.32 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.4 m -112.83 149.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -123.31 153.3 65.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.07 66.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.62 136.15 27.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.6 114.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.68 145.6 69.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 54.7 Cg_endo -69.74 92.12 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.288 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.95 -177.75 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -90.72 175.11 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.6 p -159.67 172.79 17.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' ' O ' ' A' ' 73' ' ' SER . 89.2 t80 -98.65 143.63 28.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 6.2 t -104.26 162.1 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -132.7 127.3 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.31 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -88.13 131.74 34.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -114.65 -51.97 2.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t 52.46 40.8 30.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.16 -128.28 8.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.3 t -137.59 153.68 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.7 146.09 23.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -19.58 36.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.5 t -52.16 135.5 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -79.65 133.53 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 61.14 42.71 11.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t 54.66 43.18 30.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.9 173.76 19.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -150.35 175.7 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -119.27 174.62 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.85 111.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 67' ' ' ALA . 6.2 t 39.93 50.33 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' C ' HD12 ' A' ' 35' ' ' LEU . . . -72.36 118.48 6.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.459 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -142.22 132.6 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 32' ' ' LEU . 27.4 m -128.1 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 30' ' ' GLY . 13.8 tt -107.0 157.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 123.26 29.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -78.42 -46.87 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -130.43 158.61 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 p -60.62 157.26 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 6.3 t80 -145.78 123.79 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm -116.73 124.32 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.0 p -119.03 154.68 32.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -117.34 27.6 8.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -149.3 150.25 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 p -69.93 -40.61 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -44.07 -53.93 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 45' ' ' TRP . 49.0 mt -73.27 -179.63 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 tp -122.09 138.07 54.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 p -107.08 141.22 38.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 5.9 p90 -171.47 166.55 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -114.01 179.84 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -65.68 139.43 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' CG1' ' A' ' 12' ' ' ILE . . . 96.32 -49.15 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -44.49 123.98 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.6 tp -90.48 126.56 35.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.733 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -95.0 123.44 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.91 131.59 39.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 9' ' ' GLY . 84.0 mt -80.56 91.86 5.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 49' ' ' SER . 19.7 mt -74.51 151.25 87.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -143.69 143.43 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.49 -59.05 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 t -128.62 151.21 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 47' ' ' PHE . 17.3 mt -139.06 -177.71 5.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.29 153.71 37.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.748 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 85.99 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.48 21.37 4.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 24' ' ' LEU . 73.6 m95 -130.63 148.78 52.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 25.1 mt-30 -122.81 136.35 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.611 ' HB2' HD21 ' A' ' 41' ' ' LEU . 34.3 t80 -108.34 120.47 42.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.47 178.78 40.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.608 ' HB2' HD11 ' A' ' 36' ' ' LEU . 12.5 t -115.86 141.13 48.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.12 118.99 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.07 -77.46 0.99 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.9 30.44 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -144.99 157.16 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -123.38 129.5 51.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.71 -158.57 9.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.1 mt -124.0 132.19 53.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 33' ' ' ILE . 7.4 p90 -131.3 153.17 81.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.676 0.751 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.17 37.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.22 28.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.23 -38.95 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 4.0 pt -90.57 16.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.67 143.33 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -122.33 152.62 61.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 144.09 53.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.745 2.296 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.44 151.81 47.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 134.77 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB2' ' OG ' ' A' ' 8' ' ' SER . . . -54.71 143.96 47.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 95.8 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -96.8 119.82 35.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 47.02 37.77 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -111.23 126.11 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -141.02 168.86 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.2 p -168.07 115.18 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -80.0 111.44 16.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -76.91 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? 45.56 52.31 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -94.83 -11.07 29.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.0 t -64.14 125.69 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.08 -136.5 3.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -82.13 167.17 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.874 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.21 179.55 16.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 162.33 42.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.2 m -155.63 160.0 40.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.5 m -145.96 132.64 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.456 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -52.24 149.21 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 p -136.46 117.71 14.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.88 76.62 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -92.93 122.32 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -140.62 167.09 22.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.28 -164.92 34.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.4 m -88.71 131.73 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.09 100.99 0.92 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 32' ' ' LEU . 17.3 m-85 -134.02 121.77 22.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 35' ' ' LEU . 23.2 m -118.98 139.51 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.1 tt -102.75 151.34 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -79.23 122.97 26.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 63' ' ' GLN . 35.3 mt -80.05 -29.86 39.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -132.04 -177.03 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -98.2 125.7 43.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -109.55 80.66 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 28' ' ' HIS . 9.4 mm -88.7 114.08 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -143.9 143.36 31.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -99.56 37.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -123.46 125.29 44.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.4 m -58.94 -43.29 91.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -46.95 -44.49 20.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.8 mt -89.45 168.43 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 50' ' ' ALA . 64.0 tp -101.79 129.89 48.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.8 p -97.17 97.78 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 3.8 p90 -132.75 158.26 42.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CD2' HD11 ' A' ' 18' ' ' ILE . 54.6 m80 -104.42 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -63.35 132.89 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.71 -33.59 5.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.24 101.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 10' ' ' TYR . 5.8 tp -59.02 112.09 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.754 HG21 ' CE1' ' A' ' 57' ' ' PHE . 26.5 mt -83.37 118.17 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -76.58 122.78 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 11' ' ' VAL . 3.6 mm? -75.9 119.87 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.14 147.13 32.86 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 106.18 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.301 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG11 HD11 ' A' ' 41' ' ' LEU . 2.7 p -124.38 138.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -63.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -124.51 145.47 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 47' ' ' PHE . 13.6 mt -128.13 172.88 10.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.01 160.64 54.79 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 100.39 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.24 31.19 10.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -134.27 159.48 40.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.733 0.301 . . . . 0.0 110.933 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.677 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 68.3 mt-30 -135.57 135.71 40.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' CB ' HD21 ' A' ' 41' ' ' LEU . 47.4 t80 -111.39 120.06 40.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -166.0 -173.95 34.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -114.04 137.07 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -131.91 69.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.98 46.4 1.47 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.27 -31.27 3.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -97.01 138.62 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -109.02 151.2 26.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.1 178.71 41.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 107.59 18.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.754 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.1 p90 -111.31 152.66 44.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.677 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -90.94 31.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -118.77 6.31 11.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 pt -133.14 15.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.5 m -133.05 147.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' HD11 ' A' ' 14' ' ' LEU . 8.1 pt20 -119.35 151.75 51.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 147.3 62.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.99 154.05 41.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.41 136.66 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.24 143.92 62.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.96 31.86 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -41.87 119.4 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -69.64 146.22 51.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.9 t -140.62 149.98 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.17 149.99 33.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -82.86 -21.65 34.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp 38.84 51.4 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -117.92 111.79 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -156.08 135.35 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 51.78 44.32 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.7 p -125.01 125.34 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.1 160.99 9.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.8 p -135.11 143.9 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.6 81.96 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 174.67 9.17 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -161.14 155.83 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -101.67 174.12 6.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -160.11 169.73 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -71.4 152.66 42.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.29 -61.04 6.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -102.49 126.92 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 p -151.43 161.05 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.96 -126.14 17.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -85.04 -63.19 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' O ' ' CD1' ' A' ' 10' ' ' TYR . . . 110.0 115.42 3.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 32' ' ' LEU . 9.6 m-85 -146.34 121.36 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 64' ' ' PRO . 29.4 m -122.46 140.74 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.1 tt -103.26 141.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.17 150.83 38.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 63' ' ' GLN . 5.1 mt -110.6 -33.25 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 4.9 ptp180 -124.8 166.86 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -84.74 126.17 33.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -118.27 98.28 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mm -102.78 125.34 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.74 155.62 45.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -112.68 36.82 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -128.28 155.33 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.1 p -87.15 -17.15 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -81.24 -40.91 23.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.27 177.11 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.3 tp -119.52 135.58 54.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -108.81 126.85 53.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -153.61 174.02 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -109.71 -175.25 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -83.9 137.98 33.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.14 -7.32 81.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.04 121.09 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 10' ' ' TYR . 7.5 tt -72.48 119.09 16.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -96.54 120.78 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -77.27 135.86 38.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.67 107.8 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.57 155.94 73.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.07 2.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 HD11 ' A' ' 41' ' ' LEU . 7.3 p -125.2 153.79 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -88.69 -57.15 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -119.88 143.73 47.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 38' ' ' VAL . 12.5 mt -136.08 173.9 11.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -101.41 151.11 37.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.56 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.88 10.21 3.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -121.7 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.725 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 41.2 mt-30 -146.7 131.73 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -103.76 123.67 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.48 -168.9 33.73 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t -135.67 132.95 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.28 111.36 15.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.5 -77.35 2.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.07 17.36 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -123.48 148.05 46.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -118.34 134.13 55.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.4 162.48 24.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -81.34 157.26 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.6 p90 -151.5 152.53 30.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.4 14.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.725 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -79.37 10.99 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -96.97 5.08 51.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 8.0 pt -125.84 0.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.36 155.65 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' CG ' HD21 ' A' ' 14' ' ' LEU . 9.2 pt20 -119.91 150.24 50.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.722 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -148.44 170.33 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.23 140.65 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.13 148.07 62.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.71 99.41 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -48.58 171.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' SER . 22.0 p90 -106.88 -36.2 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 70' ' ' PHE . 75.2 m 34.66 49.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 49.05 46.41 22.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 3.2 t -87.21 93.44 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.69 144.07 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -111.33 147.85 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -46.11 121.5 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 78' ' ' SER . 8.8 ptp180 -95.35 -38.12 10.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 28.8 m 50.37 50.82 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.9 94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -151.23 155.7 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.926 0.393 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.1 146.0 6.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.81 55.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -98.22 36.32 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.8 t -46.24 -48.44 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.528 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -121.92 -51.96 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -101.68 40.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.88 116.69 1.53 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -135.91 149.94 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -164.29 116.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.21 117.35 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -126.7 170.46 12.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.97 117.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.626 ' CE1' ' CD ' ' A' ' 68' ' ' PRO . 18.0 m-85 -143.48 137.36 28.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.13 149.65 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.729 HD11 ' HA2' ' A' ' 30' ' ' GLY . 18.7 tt -107.91 155.4 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -77.76 133.86 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD21 ' HG2' ' A' ' 63' ' ' GLN . 65.8 mt -94.5 -37.05 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -132.11 157.11 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -71.64 88.21 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 8.6 t80 -71.65 72.72 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.32 112.73 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -116.92 150.82 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -111.31 20.08 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -132.53 155.96 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.8 m -75.99 -48.41 21.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -41.19 -39.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.9 mt -89.77 172.15 9.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 tp -107.49 141.34 39.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -115.16 107.42 15.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 4.8 p90 -139.13 167.7 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -113.06 151.52 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -49.28 127.99 15.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 103.67 -19.13 45.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.05 120.69 15.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 10' ' ' TYR . 8.1 tp -73.48 111.81 8.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.571 HG21 ' CZ ' ' A' ' 57' ' ' PHE . 22.1 mt -87.75 115.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -78.01 124.11 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 mt -73.61 111.19 8.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.56 153.88 55.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 107.84 1.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 41' ' ' LEU . 1.7 p -122.29 138.8 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -54.53 40.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 t -153.17 161.26 42.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.74 179.84 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -93.58 159.06 35.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.38 6.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.03 19.33 3.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -135.73 162.53 32.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.704 0.288 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.826 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 9.7 mm100 -143.2 152.84 42.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.402 ' CB ' HD11 ' A' ' 41' ' ' LEU . 57.6 t80 -128.99 114.03 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.16 178.03 38.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 p -111.48 140.3 46.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.94 124.47 10.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.91 99.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.62 23.44 67.01 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -127.54 159.69 33.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.7 m -134.07 145.59 49.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.41 46.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.1 mm? -104.71 141.99 35.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 33' ' ' ILE . 10.3 p90 -148.44 149.66 32.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.736 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.11 34.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.826 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -84.5 23.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -108.26 -20.53 13.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 15.6 pt -102.62 19.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.9 152.6 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 14' ' ' LEU . 6.7 pt20 -134.38 150.68 74.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.95 49.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.62 -74.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -174.67 169.03 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.6 143.87 27.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.626 ' CD ' ' CE1' ' A' ' 10' ' ' TYR . 53.9 Cg_endo -69.74 -1.7 8.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 74.29 40.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -125.25 83.87 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.3 t -61.92 113.34 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 72' ' ' PHE . 20.8 p90 -98.45 85.36 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.9 t -160.38 168.18 25.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm 45.78 39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -138.77 156.31 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -156.31 143.11 18.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -86.51 175.11 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 p -97.46 -54.86 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.51 166.11 13.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.2 p -85.72 110.42 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.93 169.64 13.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 150.59 68.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 p -123.39 176.15 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -44.21 150.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.47 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -121.85 165.64 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -102.6 104.28 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.0 123.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -54.83 171.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.818 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -125.42 102.18 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.31 -90.72 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -89.81 160.63 16.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.968 0.414 . . . . 0.0 110.85 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.95 43.63 0.54 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.0 m-85 -134.21 133.48 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.27 140.67 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 tt -104.95 152.7 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.32 135.87 34.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.082 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -92.29 -19.58 22.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 1.7 ptp180 -143.05 166.15 25.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -82.88 100.41 10.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -84.48 81.31 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.9 mm -90.81 107.48 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.98 146.15 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -94.92 21.11 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -109.44 105.14 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.37 -22.72 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -72.24 -43.76 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.4 169.66 17.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 22.6 tp -100.98 125.15 47.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.5 p -104.27 125.9 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -147.49 156.06 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -88.43 175.44 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -75.53 103.47 5.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 22.73 6.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.51 95.8 6.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 10' ' ' TYR . 57.5 tp -42.67 124.24 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -103.37 116.62 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -72.86 122.68 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.99 121.15 19.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 49' ' ' SER . 92.3 mt -102.53 144.34 28.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.7 HG11 HD11 ' A' ' 41' ' ' LEU . 2.1 p -126.99 139.34 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.94 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.9 t -125.29 157.38 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.7 HD11 HG11 ' A' ' 38' ' ' VAL . 27.8 mt -145.25 166.54 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -95.86 157.53 35.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 92.62 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.95 1.19 19.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.428 ' CE3' ' HB3' ' A' ' 56' ' ' LEU . 86.6 m95 -111.15 156.05 21.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.963 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 35.0 mt-30 -134.71 145.29 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.3 t80 -122.78 117.52 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.29 -167.03 21.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.605 ' HB3' HD11 ' A' ' 36' ' ' LEU . 65.5 p -139.34 128.53 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 77.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 41.25 54.98 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.57 -90.78 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -118.12 173.5 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.8 p -122.23 131.76 54.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -149.65 174.75 29.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 3.7 mm? -91.19 116.84 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -126.27 151.48 72.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.742 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.53 21.38 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -83.6 37.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -119.52 -27.93 5.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 14.8 pt -96.14 18.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.47 156.67 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.74 151.09 73.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.08 49.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -135.25 135.97 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -41.39 118.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.44 145.53 47.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.564 0.697 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 80.04 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -70.49 143.91 51.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -128.37 116.67 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 72' ' ' PHE . 70.9 m -87.02 85.98 7.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 71' ' ' SER . 89.0 t80 -35.92 97.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.9 t -54.15 142.63 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -43.6 155.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -105.63 162.84 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -74.69 146.43 42.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 77' ' ' ARG . 8.7 mtm105 43.65 53.56 5.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.6 t -96.25 -37.99 10.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.84 -169.94 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.7 m -56.27 119.29 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -162.84 -80.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.96 69.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.238 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.8 p -124.32 102.8 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 t -114.63 118.61 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 p -52.37 171.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 p -155.22 107.81 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 145.79 46.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -93.04 39.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -72.84 123.76 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.34 122.92 1.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -60.47 169.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.6 101.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CD2' HD21 ' A' ' 32' ' ' LEU . 16.5 m-85 -140.97 121.15 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.9 m -123.36 140.4 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.444 HG22 ' HG3' ' A' ' 63' ' ' GLN . 16.0 tt -102.1 149.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -72.97 134.92 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 63' ' ' GLN . 19.3 mt -90.55 -32.94 16.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -132.8 158.44 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.3 p -78.38 97.79 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -83.93 87.31 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -92.39 130.1 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -130.58 -179.62 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -124.75 0.56 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.37 158.02 20.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' SER . 28.5 t -77.95 -50.8 11.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' CYS . 63.5 p -35.57 -50.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.47 146.37 38.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.37 125.87 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 p -95.9 118.17 32.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 7.8 p90 -147.69 151.22 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -94.8 179.34 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -72.52 112.64 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.92 -32.0 5.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.5 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.5 tt -59.62 111.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -78.56 115.73 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -77.71 121.72 24.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD11 ' NE2' ' A' ' 46' ' ' GLN . 4.1 mm? -70.62 113.29 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -95.91 149.35 35.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 103.53 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 41' ' ' LEU . 4.1 p -111.83 147.95 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.42 -63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 t -131.56 152.77 50.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 47' ' ' PHE . 11.3 mt -139.16 168.32 20.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.86 160.48 58.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 82.07 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.68 19.2 5.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -117.8 172.37 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.856 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 29.1 mt-30 -148.52 138.39 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.554 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t80 -118.89 123.07 43.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.29 -167.8 31.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -120.34 135.13 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.16 44.98 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.04 -49.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.57 -30.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 8.7 ttm105 -103.19 155.43 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.8 p -115.39 118.68 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.11 -166.46 11.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.88 140.23 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.779 0.324 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CZ ' ' CB ' ' A' ' 46' ' ' GLN . 41.4 p90 -150.97 149.3 24.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 138.81 38.67 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.856 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -88.99 33.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.64 8.27 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.4 pt -132.02 20.17 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 m -137.13 142.35 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.2 pt20 -114.55 151.93 45.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.98 66.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.01 133.85 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -44.55 111.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.05 144.19 14.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' PHE . 53.9 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.51 88.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PRO . 31.7 t80 -58.77 107.2 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.1 p -84.59 155.72 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -83.86 141.77 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.5 p -100.52 118.44 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -43.31 -51.54 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 65.63 47.72 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -103.99 115.69 30.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -47.03 128.63 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.1 t -104.34 145.02 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.25 144.32 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 p -84.05 174.1 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.37 171.68 18.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 164.95 32.63 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -129.62 103.38 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t -95.25 79.26 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -96.92 136.13 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -113.9 160.16 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.53 85.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -83.3 127.76 33.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -70.3 -57.35 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.54 -149.51 18.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -60.38 149.45 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.36 119.79 5.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HD2' HD21 ' A' ' 32' ' ' LEU . 25.5 m-85 -140.7 130.98 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.901 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.35 144.22 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.607 HD11 ' HA2' ' A' ' 30' ' ' GLY . 19.4 tt -103.28 157.76 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -86.53 115.28 23.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.74 -33.16 68.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -135.27 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 m -87.11 111.87 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 10.9 t80 -103.65 92.78 4.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.08 134.15 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 p -121.21 158.99 26.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.66 24.56 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -127.07 149.48 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.1 m -88.42 36.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.6 m -134.76 -34.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.09 -178.35 6.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CA ' ' A' ' 55' ' ' GLY . 55.6 tp -112.75 135.63 53.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 p -116.56 117.59 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 6.0 p90 -141.42 160.79 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -107.53 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -61.36 143.32 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 82.83 -24.52 5.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.01 101.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 10' ' ' TYR . 5.0 tt -59.98 125.74 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 50' ' ' ALA . 6.6 mt -100.1 133.74 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -89.57 129.75 35.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.84 96.1 9.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.05 152.61 93.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 115.81 4.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.54 150.33 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.78 -53.36 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.3 t -119.67 140.26 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -132.12 175.64 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.94 160.75 29.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.97 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.76 28.12 10.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -133.31 154.33 50.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 12.1 mm-40 -130.23 144.3 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -115.24 117.17 29.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.84 -169.75 24.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.5 p -130.36 133.19 46.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 33' ' ' ILE . . . -142.01 131.96 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 35.73 92.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.4 10.37 70.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -120.97 150.2 41.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.3 p -121.29 140.64 51.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -175.36 -158.11 18.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -123.27 133.89 54.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -137.81 151.37 70.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.99 29.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -85.67 35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.79 -0.23 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 8.4 pt -126.03 18.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 13' ' ' ALA . 35.6 m -134.98 143.46 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.505 ' HG3' HG22 ' A' ' 12' ' ' ILE . 5.0 pt20 -117.22 149.3 44.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.78 61.35 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -142.94 169.89 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 132.84 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.61 57.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -38.45 7.78 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.41 148.58 33.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 t80 64.38 43.06 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 t -82.03 84.76 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -169.09 118.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.2 m -108.63 164.45 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -58.45 -51.64 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -79.12 84.16 5.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -80.9 161.83 24.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -128.47 118.79 23.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.0 p -76.69 119.38 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.2 -127.13 1.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.1 p -108.67 147.81 31.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.18 154.76 25.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.53 21.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.4 p -132.32 166.11 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.3 t -85.77 132.76 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -114.28 163.07 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 m -127.3 127.04 43.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.66 -48.49 3.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -115.31 109.59 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 t -105.57 89.57 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.92 61.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -104.67 133.9 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' HD12 ' A' ' 35' ' ' LEU . . . -119.71 101.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.632 ' HD2' HD11 ' A' ' 32' ' ' LEU . 44.2 m-85 -136.93 143.45 42.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.925 0.393 . . . . 0.0 110.926 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 64' ' ' PRO . 35.3 m -147.37 140.94 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.506 HD11 ' HA2' ' A' ' 30' ' ' GLY . 17.7 tt -105.37 147.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.25 122.9 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD21 ' CG ' ' A' ' 63' ' ' GLN . 8.5 mt -78.34 -30.13 47.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -127.83 167.23 16.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -85.98 120.7 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -110.56 91.29 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.22 126.34 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -132.98 157.51 44.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -104.66 22.31 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -115.34 157.4 23.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.05 -54.67 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -40.96 -41.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.8 mt -81.44 160.67 23.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.7 tp -101.19 124.33 46.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.7 m -96.48 112.83 24.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HZ ' HD11 ' A' ' 61' ' ' ILE . 3.6 p90 -135.88 -177.18 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -131.95 163.61 27.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -52.81 122.38 9.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.506 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 88.87 31.5 12.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.7 t0 -115.18 78.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HD2' ' A' ' 10' ' ' TYR . 7.4 tp -39.17 115.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.783 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.3 mp -96.09 105.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -61.54 123.58 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 9' ' ' GLY . 87.9 mt -76.45 105.54 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.74 153.04 85.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 100.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 41' ' ' LEU . 11.8 p -114.93 149.24 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.54 -55.69 4.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -120.32 150.47 40.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 38' ' ' VAL . 12.7 mt -147.68 170.1 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.46 154.55 56.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.75 11.13 15.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -117.58 163.75 15.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.961 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -139.66 140.17 36.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 56' ' ' LEU . 35.6 t80 -115.46 124.87 52.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.09 -177.59 39.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 p -127.15 133.37 50.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.04 51.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.76 63.97 2.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.98 -51.05 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -117.05 161.95 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.9 p -133.57 170.93 14.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.07 166.74 11.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 47' ' ' PHE . 8.8 mp -83.17 156.9 22.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.783 ' CE1' HG21 ' A' ' 33' ' ' ILE . 35.7 p90 -152.81 152.71 28.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 130.28 19.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -85.06 19.7 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.12 -34.69 9.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD11 ' HZ ' ' A' ' 27' ' ' PHE . 5.0 pt -86.26 -6.27 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 59' ' ' ALA . 13.1 m -107.77 175.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' CG ' HD21 ' A' ' 14' ' ' LEU . 7.5 pt20 -145.91 151.87 46.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.75 143.11 49.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.12 164.31 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.57 129.02 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 143.99 72.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 90.03 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -48.49 163.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -87.89 172.38 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 t 67.64 35.74 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 15.5 p90 -49.27 123.58 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 t -162.03 141.92 10.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -69.49 148.16 49.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.08 -57.18 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -37.92 148.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.93 99.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 79' ' ' GLY . 76.6 p -114.18 124.73 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -34.96 139.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -157.05 130.45 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.79 153.16 36.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.34 2.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -126.15 -51.06 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.1 p -129.09 -43.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -45.67 111.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 0.0 110.848 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -57.52 125.29 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.86 155.5 27.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -167.67 144.5 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -63.13 -43.92 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.7 -167.71 37.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.9 t -89.16 -57.28 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.06 87.79 0.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.587 ' HD2' HD11 ' A' ' 32' ' ' LEU . 15.2 m-85 -145.42 122.77 11.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -127.91 142.14 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -101.94 151.07 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.702 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -87.01 104.44 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.49 -35.15 62.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 2.5 ptm85 -124.65 -175.2 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 p -104.35 109.57 21.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -99.46 93.99 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 mm -107.38 121.23 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 130.37 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.63 -25.5 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -55.62 147.24 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.87 -37.57 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -53.95 -49.92 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -73.46 -179.9 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -112.73 130.81 55.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -102.88 129.0 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -157.65 163.8 37.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -102.21 -176.91 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -76.19 141.13 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.73 -15.92 12.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.65 97.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 10' ' ' TYR . 5.5 tt -49.64 127.67 16.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -106.82 118.52 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -80.22 136.41 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.46 105.04 16.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.8 mt -72.04 154.28 92.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.83 4.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.623 2.216 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.22 149.38 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.03 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.3 t -154.91 153.73 31.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 47' ' ' PHE . 16.3 mt -136.09 176.97 8.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.82 158.86 67.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 87.91 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.13 -22.41 5.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.8 151.81 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.723 0.297 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 14.0 mm100 -130.63 155.42 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 56.2 t80 -122.31 124.32 43.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.57 -167.35 31.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 t -132.79 159.1 40.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.52 107.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.23 -47.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.02 -24.93 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -105.0 148.17 27.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -114.43 142.64 46.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.12 -159.82 16.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 46' ' ' GLN . 28.0 mt -108.59 143.13 38.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -148.64 148.76 29.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.6 0.714 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.81 28.9 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -85.73 20.32 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.0 -37.45 8.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.0 pt -84.68 2.09 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.702 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.2 m -119.14 167.4 12.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -141.82 151.95 61.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.592 0.711 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 144.39 53.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -143.66 160.74 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.079 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 134.19 50.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HB3' ' OD2' ' A' ' 69' ' ' ASP . . . -66.23 146.73 99.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.02 3.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 67' ' ' ALA . 3.6 p30 -42.18 117.59 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -43.57 130.45 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' PHE . 87.6 p -116.61 156.96 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' SER . 21.1 m-85 -35.81 -49.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' PHE . 9.0 t 35.22 54.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.2 141.92 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -84.91 116.44 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -47.51 95.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -85.28 91.35 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 79' ' ' GLY . 48.7 m -124.9 161.03 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -36.87 102.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.6 p -85.92 131.26 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 169.79 37.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 136.23 32.32 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.4 m -95.9 165.54 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.5 p -58.07 163.81 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -78.15 174.13 11.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -90.77 99.09 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.49 61.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -85.1 146.24 27.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -104.12 134.23 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.12 169.05 25.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 t -84.46 84.39 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.835 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.41 76.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD2' HD11 ' A' ' 32' ' ' LEU . 14.0 m-85 -123.36 133.47 54.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.17 146.41 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.59 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.6 tt -105.56 154.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.11 109.07 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 63' ' ' GLN . 65.7 mt -65.26 -35.0 79.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -144.76 154.58 42.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -60.28 148.39 36.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 40.6 t80 -134.18 70.62 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mm -69.59 126.77 30.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -121.29 130.07 53.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -74.35 -4.88 39.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 5.0 t-20 -119.24 105.22 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.9 p -37.41 -36.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -39.39 -57.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -65.55 -177.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' C ' ' A' ' 55' ' ' GLY . 54.6 tp -108.49 125.44 51.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -104.2 118.19 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 1.8 p90 -141.08 172.25 12.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -118.93 172.41 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -59.88 114.95 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 111.02 -39.15 3.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.88 98.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -64.93 140.93 58.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 57' ' ' PHE . 5.1 mp -108.57 139.7 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -96.55 114.99 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.0 mt -64.8 125.26 24.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.4 mt -107.09 148.64 37.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 104.74 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 41' ' ' LEU . 7.5 p -117.31 133.87 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.18 -61.75 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 t -126.27 162.5 25.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 38' ' ' VAL . 13.5 mt -150.7 179.32 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.65 154.76 37.79 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.68 11.09 7.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.44 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -120.61 158.84 26.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 6.2 mm-40 -135.35 142.74 45.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 55.9 t80 -114.86 124.12 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.0 175.14 44.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.1 t -107.16 132.68 52.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.819 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.0 131.99 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.56 62.1 6.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.49 35.18 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -149.18 157.08 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -121.39 153.55 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' C ' ' HB2' ' A' ' 25' ' ' LEU . . . 172.22 -169.06 42.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.98 145.19 44.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 33' ' ' ILE . 38.9 p90 -145.75 147.84 34.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.24 14.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -77.33 49.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.58 -31.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 pt -98.02 22.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.3 142.35 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.59 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -117.95 149.36 45.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.698 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 54.3 Cg_endo -69.78 142.3 47.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.01 25.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.16 142.77 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.99 144.24 82.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -8.83 24.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.298 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.45 139.61 32.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -62.3 171.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -129.12 112.99 14.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -58.21 171.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.2 p -55.31 144.38 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -94.17 149.17 21.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.73 155.54 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -46.05 145.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -57.45 150.85 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.1 p -62.37 153.73 30.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 80' ' ' SER . . . -125.5 -47.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 79' ' ' GLY . 15.2 m -34.87 138.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.41 -161.46 11.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.09 17.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -135.09 172.88 12.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.8 p -99.71 173.92 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -60.75 -44.4 96.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -87.88 117.98 27.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.63 89.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -155.95 176.08 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -161.13 128.68 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.7 122.02 2.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -91.24 166.71 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.376 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.24 51.44 0.86 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 34' ' ' LYS . 10.5 m-85 -133.9 126.35 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 110.908 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.48 143.48 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG22 ' HG3' ' A' ' 63' ' ' GLN . 17.2 tt -104.02 157.11 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -85.45 111.32 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 63' ' ' GLN . 62.6 mt -69.42 -31.17 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -140.48 160.29 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 p -71.58 129.79 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 61' ' ' ILE . 5.0 t80 -114.55 90.54 3.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.7 mm -92.45 114.62 29.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.0 p -116.22 168.38 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -128.79 28.19 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -145.12 121.07 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.7 p -42.66 -40.03 2.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 m -44.31 -48.81 9.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.49 177.08 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.3 tp -114.63 132.62 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -104.33 101.41 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 p90 -129.39 164.69 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -105.75 178.6 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 ttt-85 -70.37 144.15 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.28 -32.26 2.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -54.73 96.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.721 ' C ' HD23 ' A' ' 32' ' ' LEU . 1.9 tt -53.46 123.05 10.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 13' ' ' ALA . 11.9 mt -100.32 121.96 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -85.81 140.05 30.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.24 105.2 17.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.92 154.29 94.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.624 0.726 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.51 3.1 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.626 2.217 . . . . 0.0 112.335 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG11 HD11 ' A' ' 41' ' ' LEU . 6.3 p -130.18 157.19 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -93.18 -62.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 135.19 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HG11 ' A' ' 38' ' ' VAL . 13.4 mt -132.04 166.05 22.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.14 152.37 55.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.651 0.739 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.48 8.0 41.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -118.05 166.99 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 19.1 mm-40 -140.25 147.3 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CB ' HD21 ' A' ' 41' ' ' LEU . 54.7 t80 -121.41 113.21 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -175.92 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.6 t -129.89 141.26 50.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.24 48.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 79.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.98 -48.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 4.7 ptp180 -151.4 154.34 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -108.0 152.01 25.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.66 -176.35 42.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.8 mt -108.29 108.01 18.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -110.51 150.09 41.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.06 64.3 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -95.45 28.82 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.89 -15.07 12.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 11.3 pt -112.16 18.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -135.87 151.45 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.524 ' HG3' HG22 ' A' ' 12' ' ' ILE . 1.8 pp0? -126.93 149.27 68.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 53.7 Cg_endo -69.71 142.44 48.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -140.76 176.86 8.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.23 147.8 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.28 144.2 40.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -137.61 115.35 11.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -106.33 -47.82 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t 54.97 43.64 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -57.42 141.87 45.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.4 m -68.21 162.91 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -50.41 166.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -127.53 142.12 51.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -61.83 170.03 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -93.9 156.17 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -145.93 116.4 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 -162.51 9.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 t 52.66 43.28 31.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -145.58 61.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.61 61.03 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 m -124.55 167.34 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -42.69 147.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p -50.72 -43.53 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.891 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 p -139.46 113.92 9.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.4 177.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -88.61 153.38 21.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -67.07 -57.3 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.18 54.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.93 146.42 49.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.671 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . 174.91 123.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.483 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' ' 68' ' ' PRO . 11.4 m-85 -135.09 134.46 40.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 m -131.85 148.0 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.31 145.16 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.14 124.42 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 8.5 mt -82.77 -18.45 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 154.94 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.7 p -71.41 134.88 46.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -125.97 108.36 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.0 mm -110.38 118.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.71 139.34 51.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.0 28.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -132.01 146.89 52.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.1 t -73.36 -46.98 45.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -40.16 -54.82 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.52 162.59 26.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -100.54 138.06 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.1 p -113.49 101.59 9.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 17' ' ' TYR . 2.9 p90 -122.64 171.79 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -113.98 168.78 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 14' ' ' LEU . 5.8 tpt180 -53.08 117.66 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.67 51.07 6.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' OD2' ' HB1' ' A' ' 50' ' ' ALA . 7.2 t0 -117.41 82.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.1 tt -40.8 110.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.01 149.07 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -103.56 114.47 28.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD12 ' HA3' ' A' ' 9' ' ' GLY . 72.0 mt -69.84 112.96 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -90.56 150.2 42.15 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.92 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 93.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 41' ' ' LEU . 6.4 p -100.08 142.43 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.89 53.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -151.44 144.28 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 ' CD1' HG11 ' A' ' 38' ' ' VAL . 8.2 mt -128.99 172.33 11.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.25 157.96 47.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.668 0.747 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.6 -21.35 5.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.54 154.59 17.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.707 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 71.5 mt-30 -137.04 131.72 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' HB2' HD21 ' A' ' 41' ' ' LEU . 58.7 t80 -103.86 134.12 47.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 175.38 45.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t -123.62 137.37 54.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -104.54 57.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.96 74.02 0.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.2 -61.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -131.29 164.96 24.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 p -117.96 159.17 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.84 168.37 20.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -91.19 159.07 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -152.99 153.27 29.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.93 13.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -77.43 47.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -130.0 -41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.433 HD11 ' HD2' ' A' ' 17' ' ' TYR . 7.2 pt -85.98 14.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.1 155.78 39.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.5 pt20 -138.13 152.9 72.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.7 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 141.78 46.28 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.33 -75.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -175.61 138.25 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.47 138.63 44.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.72 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.79 -6.83 19.55 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 15.9 p-10 -53.06 87.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 68' ' ' PRO . 3.6 p90 -161.69 166.95 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -136.79 136.1 38.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -103.2 141.2 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.7 t -100.95 -61.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -103.25 138.14 40.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.2 103.42 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -108.64 95.14 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.34 146.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.3 t -80.92 139.12 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -166.8 125.49 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.3 t -127.1 -52.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.931 0.396 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.25 146.35 6.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 t -78.0 104.53 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -135.16 132.58 38.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -111.34 126.79 55.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -63.11 165.82 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 131.0 51.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -47.4 -49.51 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -119.77 128.75 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.04 69.98 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.551 ' H ' ' HB2' ' A' ' 67' ' ' ALA . 32.4 m -91.05 49.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.26 81.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD1' HD21 ' A' ' 32' ' ' LEU . 11.4 m-85 -141.62 120.33 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.405 . . . . 0.0 110.88 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 64' ' ' PRO . 16.9 m -120.95 144.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 30' ' ' GLY . 16.9 tt -107.7 160.51 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -88.74 143.15 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.95 -32.65 10.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -128.42 176.86 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 p -88.67 122.12 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -116.11 95.75 5.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.86 126.69 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -110.99 178.07 4.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -121.02 -4.41 9.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -113.77 177.04 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.7 t -95.27 -32.09 13.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.2 m -50.6 -47.54 58.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.89 172.24 14.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 50' ' ' ALA . 21.1 tp -110.7 130.51 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -96.53 117.56 31.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.2 p90 -148.84 148.53 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -96.17 -176.44 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -71.57 140.12 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.602 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 87.98 -24.35 11.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.74 137.63 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 10' ' ' TYR . 6.7 tp -96.84 129.89 44.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.949 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.9 mp -104.86 112.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.2 ttpt -66.69 124.87 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.45 95.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 49' ' ' SER . 71.4 mt -73.59 153.61 89.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 110.99 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG11 HD11 ' A' ' 41' ' ' LEU . 2.5 p -124.86 142.01 43.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -151.16 153.73 35.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD11 HG11 ' A' ' 38' ' ' VAL . 90.8 mt -137.26 170.19 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 3.4 mm-40 -96.91 163.03 21.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.5 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -141.7 15.44 2.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -135.72 149.74 49.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.74 0.305 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.659 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 10.0 mm100 -134.0 162.71 31.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -133.65 112.09 11.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' LYS . . . -160.47 156.76 28.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD11 ' A' ' 36' ' ' LEU . 90.0 p -85.69 143.31 28.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -161.34 108.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 37.7 17.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.11 32.09 74.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -151.58 133.55 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.7 p -96.63 142.75 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.76 164.41 37.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 46' ' ' GLN . 4.3 mm? -93.4 127.48 39.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.949 ' CE1' HG21 ' A' ' 33' ' ' ILE . 30.8 p90 -133.01 152.58 80.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.97 43.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -93.56 26.81 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -107.61 -28.09 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 pt -95.27 13.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 13' ' ' ALA . 16.2 m -129.96 164.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG3' HG22 ' A' ' 12' ' ' ILE . 13.3 pt20 -134.18 152.31 78.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HA ' HG12 ' A' ' 11' ' ' VAL . 53.8 Cg_endo -69.74 144.26 53.55 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.92 176.64 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.79 147.6 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.551 ' HB2' ' H ' ' A' ' 8' ' ' SER . . . -63.55 144.39 97.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.642 0.734 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 81.92 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.707 2.272 . . . . 0.0 112.272 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -50.8 136.15 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -117.36 174.09 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.3 t -66.64 -40.25 88.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -124.19 88.42 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -132.61 98.48 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 tptm 68.99 42.29 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.17 101.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.07 137.83 33.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -41.47 124.45 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' ARG . 63.8 p -34.77 -57.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.0 133.76 2.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 t -99.07 -175.47 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -103.58 164.79 15.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.82 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.8 p -128.92 165.1 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -68.72 171.42 7.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.528 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -119.18 122.66 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 p -79.39 105.56 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.43 139.99 14.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -96.86 101.21 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -72.61 101.64 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.53 43.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.0 m -60.16 168.09 2.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.512 ' C ' HD12 ' A' ' 35' ' ' LEU . . . -144.64 108.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.564 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 39.7 m-85 -136.42 124.63 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.93 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.726 HD11 ' O ' ' A' ' 30' ' ' GLY . 14.3 tt -103.45 157.53 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.36 138.62 31.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.1 mt -93.06 -37.77 11.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.598 ' CD ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -132.79 151.62 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.9 p -58.41 131.93 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -118.81 87.59 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 18' ' ' ILE . 12.8 mm -94.02 122.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.35 124.72 26.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.75 34.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -118.67 165.44 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 t -103.55 -12.1 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 p -88.9 -23.98 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.01 165.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 50' ' ' ALA . 11.0 tp -98.76 142.21 30.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 p -115.26 112.53 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -133.6 167.32 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -113.98 139.06 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -38.6 145.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.726 ' O ' HD11 ' A' ' 12' ' ' ILE . . . 84.35 -24.85 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 27.2 t0 -72.39 147.32 46.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 3.3 tt -100.88 128.38 46.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.779 HG21 ' CE1' ' A' ' 57' ' ' PHE . 4.8 mp -98.2 100.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -54.51 126.16 22.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 9' ' ' GLY . 74.9 mt -80.24 94.63 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 13.3 mt -67.97 151.84 96.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.25 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.874 HG11 HD12 ' A' ' 41' ' ' LEU . 7.2 p -101.42 162.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -81.45 -51.38 8.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.6 t -148.16 148.63 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.874 HD12 HG11 ' A' ' 38' ' ' VAL . 13.6 mt -151.89 166.98 29.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.1 mm-40 -95.86 163.07 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.9 Cg_endo -69.74 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.29 -4.39 4.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -119.6 134.56 55.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 8.3 mm-40 -122.48 136.34 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 36' ' ' LEU . 86.4 t80 -104.78 138.84 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 172.85 177.81 42.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' ' 36' ' ' LEU . 86.7 p -118.38 135.89 54.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB3' HD11 ' A' ' 25' ' ' LEU . . . -135.65 109.92 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.72 -43.58 2.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.05 -30.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 54' ' ' SER . 11.6 ttm180 -97.81 150.44 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 83.0 p -108.74 142.26 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . -166.31 179.88 40.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 HD21 ' A' ' 41' ' ' LEU . 31.0 mt -105.07 123.34 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 33' ' ' ILE . 18.7 p90 -122.33 152.14 60.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.656 0.741 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.86 16.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB2' ' CG ' ' A' ' 46' ' ' GLN . . . -83.62 38.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.65 -9.86 9.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.598 HD12 ' CD ' ' A' ' 15' ' ' ARG . 5.3 pt -118.28 6.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.4 m -121.03 142.62 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -115.87 152.94 48.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.33 50.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.43 152.61 40.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.84 160.0 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.26 151.3 95.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.71 2.06 3.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 73.46 38.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.11 148.06 40.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.9 m -102.76 58.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.87 106.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.1 t -85.43 148.5 25.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -89.18 110.02 20.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -96.86 95.77 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -62.2 100.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -45.59 104.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -49.93 -57.49 7.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.03 -179.15 24.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -174.99 139.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.408 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.49 146.95 18.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 93.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 p -54.95 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -111.74 -179.84 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -116.6 137.54 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p 41.12 42.14 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.66 140.45 6.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -93.55 119.21 32.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -103.12 -18.72 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.2 131.96 2.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.1 p -131.98 176.07 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.38 104.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' HD2' HD11 ' A' ' 32' ' ' LEU . 22.7 m-85 -146.11 132.61 19.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 110.941 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 64' ' ' PRO . 26.6 m -130.27 151.52 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.623 HD11 ' HA2' ' A' ' 30' ' ' GLY . 21.0 tt -109.76 150.14 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.54 132.79 42.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD21 ' CG ' ' A' ' 63' ' ' GLN . 32.2 mt -91.36 -29.77 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.07 156.1 48.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -74.06 103.23 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.66 90.24 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.11 118.99 54.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.47 155.81 45.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.17 -28.76 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB2' HD12 ' A' ' 24' ' ' LEU . 3.2 m-20 -39.28 156.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.3 t -100.31 -4.92 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.4 m -110.35 22.25 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 21' ' ' ASN . 41.4 mt -140.2 174.15 10.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 tp -115.29 136.24 53.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -112.75 109.09 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -129.53 165.4 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -105.05 165.0 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -59.63 140.38 56.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.623 ' HA2' HD11 ' A' ' 12' ' ' ILE . . . 81.32 -15.04 25.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.67 111.4 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 10' ' ' TYR . 15.3 tp -62.82 132.95 53.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 57' ' ' PHE . 20.7 mt -110.33 115.27 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -74.77 123.27 24.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.56 92.8 5.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.9 149.27 96.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.93 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 41' ' ' LEU . 7.4 p -99.29 153.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -74.52 -48.83 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -147.8 158.44 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' CD1' HG11 ' A' ' 38' ' ' VAL . 13.4 mt -150.43 166.85 28.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 4.0 mm-40 -94.82 163.05 23.34 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' CD ' ' A' ' 42' ' ' GLU . 53.8 Cg_endo -69.71 92.1 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 126.48 -27.37 5.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -87.42 151.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.64 ' HG3' ' HB2' ' A' ' 59' ' ' ALA . 7.8 mm100 -135.84 140.96 44.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -113.28 132.48 55.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.87 174.31 42.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.4 t -109.11 146.04 34.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.47 74.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.99 -57.12 0.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.49 -33.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -94.83 135.72 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -112.24 127.18 55.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.75 -167.0 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.14 112.72 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 33' ' ' ILE . 45.7 p90 -115.06 152.28 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.662 0.744 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.22 47.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 46' ' ' GLN . . . -94.61 20.26 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.17 6.11 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.1 pt -130.13 10.63 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.38 155.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.593 ' CG ' HD21 ' A' ' 14' ' ' LEU . 14.0 pt20 -128.86 152.43 79.01 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.74 143.64 51.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.12 136.97 27.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 129.33 23.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.66 143.91 47.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -12.35 32.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -50.49 143.41 9.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.1 t80 60.3 52.73 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.2 m -142.46 110.75 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -97.34 86.53 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -80.93 167.81 19.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -97.08 -54.96 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.06 159.96 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -139.58 144.15 37.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -42.63 121.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.8 p -122.56 165.66 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.24 -56.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.8 p -93.66 -58.69 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.97 -159.29 24.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 174.55 9.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -55.46 178.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 p -129.19 -35.68 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p -154.66 171.66 19.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t 53.58 45.13 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.36 44.59 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -122.19 81.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -42.14 117.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.49 93.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -96.58 141.44 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.52 105.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.9 123.62 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.19 146.49 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 tt -108.85 159.06 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -83.66 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.063 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 61' ' ' ILE . 13.3 mt -89.55 -39.91 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' CG ' ' HB ' ' A' ' 61' ' ' ILE . 3.2 ptp180 -128.96 160.38 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -75.59 107.3 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 61' ' ' ILE . 13.0 t80 -98.33 79.11 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mm -84.64 122.33 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -136.48 140.53 43.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.39 35.61 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -123.59 157.39 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 65.4 m -82.5 -58.32 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -42.14 -47.68 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.13 166.35 23.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.53 148.05 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.3 m -119.7 99.0 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 15.2 p90 -131.43 178.61 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -121.05 171.87 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -68.52 140.2 55.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.44 -1.37 88.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -85.45 128.99 34.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -76.93 117.95 19.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.6 mt -99.56 124.37 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.06 131.07 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.6 mt -83.32 112.15 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -82.24 153.0 68.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.724 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.726 ' CG1' HD11 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -113.05 155.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -61.68 -66.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -165.41 140.45 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CG1' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -125.3 -173.83 2.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -80.96 161.56 62.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.31 18.06 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -136.88 157.65 46.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 15.5 mm-40 -143.0 154.7 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.485 ' CB ' HD21 ' A' ' 41' ' ' LEU . 89.0 t80 -124.81 124.56 42.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -165.73 177.87 40.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -119.27 143.38 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.87 121.84 8.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.92 2.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.51 -21.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -102.61 148.31 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.9 p -108.04 161.42 14.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.53 171.98 37.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -99.96 122.88 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.97 151.49 55.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.678 0.752 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 137.9 36.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 46' ' ' GLN . . . -83.72 18.14 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -107.21 2.38 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 15' ' ' ARG . 12.8 pt -129.89 19.29 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.8 142.11 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -118.99 152.36 51.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.36 50.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.86 141.47 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.78 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.61 145.98 98.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.79 14.73 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' PHE . 26.0 t70 -58.38 120.13 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 70.6 m-85 -34.73 144.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -160.4 141.81 12.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -46.08 171.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.4 m -147.45 134.76 20.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -119.47 127.4 53.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 68.38 43.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.12 121.41 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -109.72 102.81 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -157.48 -176.1 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.5 -59.92 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 t -67.73 120.52 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -163.18 -159.21 10.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.45 60.46 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -152.5 143.99 23.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -65.62 133.07 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.966 . . . . . . . . 0 0 . 1 stop_ save_