data_2cqo_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 2cqo _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 ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.0 Cg_endo -69.74 169.53 18.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.735 2.29 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.66 171.02 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 22.7 tp -66.74 140.49 57.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 60.71 27.64 17.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.9 m -89.64 141.08 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -103.39 131.39 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.6 p90 -150.72 170.56 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.515 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -109.07 122.97 48.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.66 163.61 24.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -108.16 147.75 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 33' ' ' ILE . 34.4 t -73.9 127.33 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.11 -25.2 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.9 ttt -146.62 140.35 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.1 124.53 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.1 p -126.11 160.91 28.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -126.6 8.72 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.51 -169.04 30.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.61 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -93.06 135.95 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 23' ' ' VAL . 42.0 mm -121.15 140.9 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -95.75 122.09 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 19' ' ' PHE . 39.7 mt -85.07 137.6 37.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.6 Cg_endo -69.8 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.36 48.59 4.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -138.29 -175.45 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -122.37 -29.71 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -114.72 158.48 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -109.63 151.99 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.42 156.63 17.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.87 138.62 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 76.6 t -113.87 100.72 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.53 153.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -60.47 -32.3 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.8 p -63.52 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.2 -22.68 17.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.0 mtp -50.86 -33.52 24.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 t -154.98 129.91 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -51.51 -58.12 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.5 p -59.76 -177.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -62.46 132.87 53.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -111.75 111.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.67 -41.18 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -133.63 88.41 33.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -17.77 36.87 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.1 p -75.72 -5.03 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -110.23 -16.42 13.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.4 -41.68 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 170.36 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.93 137.72 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -38.9 125.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.47 -17.87 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.77 136.27 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HD3' ' CD ' ' A' ' 20' ' ' GLN . 17.6 ttmm -103.28 131.92 49.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.5 m -141.07 170.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.8 m95 -98.52 132.18 44.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.631 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 32.9 m -132.32 158.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -129.45 128.18 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 12.3 tp -61.53 127.7 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.22 -25.42 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 118.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.457 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -120.6 125.06 46.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.736 0.303 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.11 124.04 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -116.82 113.99 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -117.99 146.16 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.61 -13.86 11.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.02 -29.32 13.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.5 ptm85 -175.55 157.04 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.0 mt -116.71 130.8 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -117.75 128.98 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.45 127.8 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -116.3 128.08 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 62.5 mt -120.82 152.35 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -126.5 149.64 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.461 ' CG ' HG12 ' A' ' 69' ' ' VAL . 81.7 mtp -123.69 -29.34 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.94 -10.7 22.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 m -111.73 13.14 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.22 131.2 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.68 167.52 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -118.4 -11.89 9.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.35 -34.21 7.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 p -126.24 -32.18 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.67 15.47 54.69 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -76.04 146.07 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.87 131.87 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.3 mt -107.37 -17.95 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -130.45 75.76 78.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -2.02 9.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -88.86 -41.13 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 64.07 43.4 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.39 -37.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mp -61.76 -41.74 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.35 -20.13 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 35' ' ' ILE . 29.4 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.609 0.719 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.75 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.277 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.19 171.76 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.34 140.54 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 64.37 26.73 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -90.99 135.11 33.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.8 mt -101.21 127.64 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.7 p90 -149.37 164.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -101.0 129.18 46.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.73 163.68 25.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -110.58 140.65 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.68 129.68 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.65 -21.99 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.544 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.1 ttt -147.98 139.1 23.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.93 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.1 p -124.71 160.36 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -72.52 1.4 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -126.59 9.75 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.97 -169.81 30.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.98 148.97 34.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 28.6 m-85 -93.2 129.57 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.5 mm -112.79 132.36 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -84.79 125.7 32.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.57 HG12 ' CE1' ' A' ' 19' ' ' PHE . 45.9 mt -88.41 136.03 32.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.646 0.736 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.2 Cg_endo -69.68 135.02 29.58 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.68 72.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.5 m -133.37 172.71 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -110.74 -42.62 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.85 155.04 20.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -117.1 168.52 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 153.62 16.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.18 132.93 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -106.09 100.53 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.16 153.45 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -61.28 -31.08 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.6 p -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -95.58 -22.81 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.2 mtp -50.15 -37.81 36.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 27.6 t -152.97 -179.58 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' OG ' ' A' ' 50' ' ' SER . 94.7 p -108.92 -41.76 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.804 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.97 -174.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -59.97 105.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 40.7 t -90.38 124.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.49 -57.75 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.04 90.3 7.7 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.92 33.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.747 2.298 . . . . 0.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -81.38 -17.22 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.02 -10.36 28.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.5 mt -81.28 -32.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.63 170.69 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.28 136.16 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -41.68 121.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.62 -22.23 13.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.92 126.39 32.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.2 ttpp -93.28 132.04 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.08 169.37 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.7 m95 -98.82 140.81 32.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.452 HG13 ' CG ' ' A' ' 87' ' ' MET . 5.4 m -140.04 164.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -133.6 123.07 24.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 10.0 tp -60.54 130.8 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -115.34 -24.49 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.47 109.69 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 7.2 ptm180 -113.09 126.77 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -137.27 123.9 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.0 ttt -118.11 114.1 22.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -115.01 141.84 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -59.34 -13.72 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 18.6 t0 -101.31 -28.61 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 16.1 mtp180 -166.84 157.08 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.15 129.77 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -130.87 129.06 41.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.58 129.08 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -111.18 129.47 55.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 29.4 mt -125.16 154.9 40.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 11.8 t -116.76 151.1 37.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.452 ' CG ' HG13 ' A' ' 69' ' ' VAL . 71.8 mtp -122.35 -35.22 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -67.14 -21.62 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 86' ' ' SER . 33.2 m -100.54 26.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 22.3 t -148.21 130.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -67.07 132.21 47.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -95.25 43.74 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.04 -34.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 p -125.65 -25.09 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.78 31.69 32.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -96.06 136.39 36.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -55.39 119.39 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.3 -33.46 16.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.04 79.17 42.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.712 0.768 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.0 35.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.733 2.289 . . . . 0.0 112.356 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 -38.48 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.61 49.21 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.01 -35.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.2 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.23 -49.08 85.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -53.06 -21.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 35' ' ' ILE . 33.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.571 0.701 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.3 Cg_endo -69.85 -173.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.274 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.86 -179.37 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 tp -68.97 147.2 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 55.19 26.35 8.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -91.14 132.91 35.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -101.21 139.07 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 10.1 p90 -154.6 164.13 39.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 10.5 tt0 -98.42 120.59 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' C ' ' HD3' ' A' ' 66' ' ' LYS . . . -131.55 162.43 23.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.08 140.93 41.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 24' ' ' ALA . 39.9 t -66.09 133.42 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 23' ' ' VAL . . . -117.7 -23.25 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.29 140.29 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.91 124.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.476 ' OG1' ' CE1' ' A' ' 29' ' ' TYR . 71.3 p -130.24 162.5 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -72.8 -0.67 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CE1' ' OG1' ' A' ' 27' ' ' THR . 13.0 p90 -118.34 6.33 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.85 -167.26 27.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.73 149.18 40.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -95.77 124.47 39.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.41 131.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 35.1 mtmt -86.85 125.77 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.0 mt -86.32 135.63 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.708 0.765 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' N ' HG21 ' A' ' 35' ' ' ILE . 53.7 Cg_endo -69.78 129.94 18.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.35 23.63 75.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.7 t -132.58 167.94 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -111.49 -19.67 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.76 151.2 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 20.5 mt-30 -118.7 153.88 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.09 149.39 17.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -99.46 140.24 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 54.5 t -113.75 103.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.408 ' ND1' HG21 ' A' ' 47' ' ' THR . 3.1 t-160 -49.59 151.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 47' ' ' THR . 6.8 ptt-85 -60.04 -34.44 73.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 2.8 p -63.27 -25.59 68.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -95.52 -25.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.1 mtp -48.34 -44.54 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -146.36 156.53 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.01 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -60.12 113.66 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.65 110.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -118.4 -55.22 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 81.76 1.51 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -13.16 34.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -89.04 -11.34 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -99.1 -11.46 21.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.1 mt -83.71 -34.16 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.81 172.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -156.26 168.4 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.44 115.5 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.35 -19.4 9.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -85.69 127.6 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 tppp? -87.44 134.92 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.12 157.4 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.4 m95 -93.09 139.31 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 87' ' ' MET . 2.6 m -143.89 159.37 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' CD ' HG22 ' A' ' 89' ' ' VAL . 24.5 pttt -131.38 133.06 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' A' ' 74' ' ' ARG . 20.1 tp -60.83 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CG1' ' HB3' ' A' ' 84' ' ' SER . 13.5 pt -112.95 -24.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.96 137.5 4.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.459 ' CG ' HD22 ' A' ' 71' ' ' LEU . 31.0 mtp180 -111.4 124.56 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' LYS . 44.0 mm-40 -142.83 123.74 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -118.09 128.81 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 152.53 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.06 -13.81 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.43 -31.17 12.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -176.06 157.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -87.74 134.44 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLU . 14.8 mmmt -117.66 128.92 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -123.7 128.9 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 72' ' ' ILE . 4.3 m -100.75 125.59 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 59.9 mt -124.7 152.8 43.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.3 t -121.12 150.1 41.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 77.9 mtp -122.4 -37.62 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -66.63 -11.4 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.451 HG22 ' CD ' ' A' ' 70' ' ' LYS . 15.5 m -107.32 18.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 t -145.47 142.1 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -72.76 127.31 32.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.22 48.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.41 -39.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -117.32 -20.93 8.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 111.165 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.493 ' HA2' ' CG ' ' A' ' 68' ' ' TRP . . . 80.8 25.56 55.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -94.2 133.71 37.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.29 125.07 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.1 mt -90.01 -29.78 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 1.6 t70 -129.51 77.18 77.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.696 0.76 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.14 6.44 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -82.39 -25.55 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 48.76 50.76 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.4 p -112.78 -19.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.437 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.1 mp -77.37 -47.53 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -55.6 -21.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.626 0.727 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.81 178.78 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.312 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.11 175.51 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.25 143.92 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.47 25.15 15.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 18' ' ' ILE . 51.7 m -86.8 150.64 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 17' ' ' THR . 84.0 mt -113.27 134.69 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 69' ' ' VAL . 10.7 p90 -155.75 160.1 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 12.4 tt0 -96.47 125.95 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 159.95 24.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -110.92 144.14 40.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 33' ' ' ILE . 41.0 t -67.27 132.71 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' HG11 ' A' ' 23' ' ' VAL . . . -119.58 -21.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.2 ttt -147.87 141.02 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.77 124.73 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 p -121.72 161.24 22.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.47 3.19 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -131.3 16.18 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.96 -163.3 27.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.8 152.09 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -94.37 135.34 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 23' ' ' VAL . 16.1 mm -121.92 128.78 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -83.57 131.82 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 19' ' ' PHE . 53.0 mt -85.34 135.41 38.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 32.24 25.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -151.99 -178.7 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -119.53 -33.9 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 150.6 46.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -121.92 142.99 49.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 83' ' ' VAL . . . -106.63 153.05 16.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.478 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -101.62 141.15 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.01 104.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -54.32 153.53 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 6.5 mtm105 -58.83 -37.26 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -59.97 -25.91 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.33 -13.82 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.459 ' CE ' HG21 ' A' ' 61' ' ' VAL . 47.8 mtp -71.59 -28.79 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -128.18 -178.04 4.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -76.26 -61.04 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -129.75 -66.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.89 132.13 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 t -124.69 86.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.88 -60.66 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -148.38 134.12 9.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.37 25.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.5 p -76.3 -2.48 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -106.47 -12.37 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.9 mt -95.15 -43.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG21 ' CE ' ' A' ' 49' ' ' MET . 5.3 m -132.41 159.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.14 142.73 24.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -45.04 116.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.44 -23.38 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.58 126.33 32.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -95.6 131.78 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -141.11 170.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.2 m95 -96.97 131.5 43.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 19' ' ' PHE . 33.2 m -130.64 157.25 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -131.7 128.1 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.52 129.45 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.401 HG21 ' CG2' ' A' ' 105' ' ' ILE . 17.4 pt -112.36 -28.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.1 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -120.21 129.14 53.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.55 125.34 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -112.81 114.24 26.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.83 145.22 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -59.85 -13.96 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.76 -28.97 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -175.27 156.94 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.6 mt -103.87 129.74 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -117.91 124.06 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG2' ' HA2' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -133.72 133.13 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -120.02 132.54 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.6 mt -121.53 157.75 30.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 p -126.91 144.45 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.434 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 81.2 mtp -117.07 -33.4 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -64.21 -27.87 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.91 22.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.0 t -148.5 124.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.23 128.88 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 87' ' ' MET . 19.3 mp0 -90.9 45.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.03 -35.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -123.36 -31.72 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.087 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.6 12.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.25 135.55 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.54 124.09 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.37 -25.14 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 15.3 p-10 -112.38 75.96 1.85 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.698 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -109.35 -37.45 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.86 44.87 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.05 -22.99 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.51 -40.72 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.401 ' CG2' HG21 ' A' ' 72' ' ' ILE . 2.6 pp -59.79 -19.85 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 177.33 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.1 tp -67.12 143.12 56.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 60.86 26.72 16.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -89.99 145.75 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 97' ' ' ASP . 62.6 mt -108.91 130.66 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 35' ' ' ILE . 17.7 p90 -151.39 160.67 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 13.7 tt0 -100.14 125.25 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 163.89 24.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -107.55 141.37 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.59 130.9 33.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.41 -25.63 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.409 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 6.7 ttt -147.98 141.12 25.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.35 124.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 p -123.97 157.51 34.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.89 -0.63 9.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -126.77 12.62 7.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.08 -169.47 30.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.45 148.85 31.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 12.6 m-85 -94.61 129.52 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mm -117.27 134.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HD3' ' NE2' ' A' ' 41' ' ' GLN . 13.0 mtmm -89.29 132.95 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 19' ' ' PHE . 51.2 mt -90.77 137.6 26.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.3 Cg_endo -69.73 121.24 7.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.17 28.69 39.96 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -145.4 164.43 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -101.9 -42.6 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -73.61 149.16 42.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' HD3' ' A' ' 34' ' ' LYS . 75.7 mt-30 -116.16 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.92 161.64 12.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -116.54 138.93 51.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.3 t -112.2 103.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -47.75 152.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 2.4 ppt_? -58.9 -31.04 68.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 46' ' ' ARG . 43.3 p -63.85 -42.81 97.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -78.34 -26.1 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.7 mtp -54.16 -30.32 48.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -121.78 176.53 5.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -92.11 -44.37 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.8 m -131.48 -73.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.54 68.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -46.35 -57.43 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -157.94 120.62 2.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.34 30.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -76.25 -4.97 44.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -109.02 -21.48 12.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 mt -72.48 -37.79 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 6.0 m -138.97 174.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -161.89 140.18 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -43.99 125.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.91 -23.37 27.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -81.6 129.42 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 1.1 ttmp? -94.84 131.93 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.04 168.19 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 96.2 m95 -96.73 141.17 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.409 ' C ' HG22 ' A' ' 90' ' ' VAL . 34.0 m -140.32 159.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 90' ' ' VAL . 19.0 ttpt -130.15 128.93 42.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 tp -63.49 135.57 56.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.9 pt -116.13 -33.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.39 123.58 1.3 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -111.84 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -130.75 123.98 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtp -117.39 113.98 22.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -117.38 143.29 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.85 -13.98 13.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.97 -29.96 13.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -175.15 156.78 2.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.4 mt -110.14 128.94 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -118.16 129.05 55.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.3 118.95 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -101.72 134.24 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.74 158.63 35.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 5.9 t -116.17 147.77 41.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 80.0 mtp -124.44 -22.16 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -82.15 -21.89 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 86' ' ' SER . 26.0 m -97.66 9.54 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 11.5 t -129.14 129.13 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -67.16 137.79 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -98.45 47.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.57 -38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.7 p -118.94 -32.64 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.26 28.11 16.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 139.12 31.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.402 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 19.1 t0 -60.82 116.92 4.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.6 mt -82.64 -37.79 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.71 78.83 12.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -11.91 31.66 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.3 -44.28 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 71.51 42.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.76 -31.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.19 -59.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.424 ' C ' HD13 ' A' ' 105' ' ' ILE . 2.6 pp -45.47 -31.6 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.7 178.54 4.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.742 2.295 . . . . 0.0 112.316 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.55 174.01 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.11 144.06 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 61.46 25.98 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -88.4 138.45 31.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.209 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 97' ' ' ASP . 82.2 mt -103.87 130.67 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' HG12 ' A' ' 35' ' ' ILE . 9.2 p90 -151.01 157.98 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 19.4 tt0 -95.9 122.24 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.83 163.78 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -110.54 136.51 49.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 24' ' ' ALA . 45.5 t -61.07 133.23 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 23' ' ' VAL . . . -115.63 -23.94 8.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -147.99 140.96 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 72.0 t -120.93 123.98 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.1 p -123.51 159.95 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.44 1.49 7.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -127.68 11.43 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.28 -170.99 29.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.564 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.97 147.75 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -93.08 128.14 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.0 mm -110.07 139.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -95.8 126.57 41.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG12 ' CE1' ' A' ' 19' ' ' PHE . 46.5 mt -85.42 137.21 36.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.74 120.12 6.96 Favored 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.84 44.5 24.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.38 -177.58 5.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -115.66 -49.8 2.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -88.5 153.77 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -109.59 160.07 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.8 147.5 17.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 tp -100.78 137.16 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.92 101.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -48.66 153.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 47' ' ' THR . 15.9 ptt180 -60.54 -35.06 75.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 9.5 t -69.77 -20.89 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -95.43 -20.73 18.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 58.0 mtp -61.62 -39.09 90.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -153.72 143.57 21.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.9 t -71.92 -48.48 45.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.7 m -52.75 178.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.61 97.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.1 t -72.12 115.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.62 -54.03 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -129.92 95.76 27.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.71 33.58 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.461 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 2.4 m -77.88 -7.68 57.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.12 -14.92 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.74 -31.05 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.7 m -145.75 173.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -157.34 134.55 10.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 62' ' ' ASP . 91.6 t -35.35 121.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.11 -22.31 11.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -81.04 126.87 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 32.4 ttmt -95.95 131.98 41.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.06 170.03 14.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 95.9 m95 -99.98 129.85 46.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.54 158.27 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -126.47 134.24 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.56 127.02 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.1 pt -110.5 -25.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.38 118.64 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -119.91 126.83 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -139.0 124.03 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.1 mtp -114.71 114.5 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -117.77 143.9 45.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.04 -13.99 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.97 -28.96 13.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -175.03 157.02 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.6 mt -112.57 131.93 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -119.34 128.92 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.32 125.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -113.11 127.41 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.6 mt -120.83 148.4 44.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 t -120.21 149.3 42.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 75.9 mtp -122.27 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.37 -22.91 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 99' ' ' ASP . 32.7 m -98.93 12.54 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.61 130.65 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.76 124.83 24.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -88.98 41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.29 -33.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.9 p -128.46 -28.71 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.13 28.3 15.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -91.69 138.04 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.402 ' CB ' HD13 ' A' ' 18' ' ' ILE . 17.1 t0 -62.7 116.93 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.2 mt -82.12 -21.72 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 19.4 p-10 -127.2 78.37 74.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.723 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 0.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.783 2.322 . . . . 0.0 112.278 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -98.89 -37.62 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 62.33 51.77 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -111.23 -14.47 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.35 -56.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 pp -46.52 -27.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.624 0.726 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 179.28 3.76 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.94 -178.54 4.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 tp -69.72 148.44 49.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 55.98 28.33 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.1 m -90.69 136.58 32.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 97' ' ' ASP . 93.3 mt -101.85 130.02 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 69' ' ' VAL . 7.6 p90 -149.14 159.29 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' CZ2' ' A' ' 68' ' ' TRP . 24.5 tt0 -95.34 122.15 37.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.78 159.58 22.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -109.68 134.83 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.54 132.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.48 -22.08 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -147.87 139.89 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 84.4 t -124.91 125.37 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.6 p -129.66 161.1 31.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.37 0.58 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -123.24 9.81 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.09 -167.64 27.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.89 147.14 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.33 134.6 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.7 mm -120.77 133.97 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -85.4 123.03 30.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.79 136.52 82.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 126.57 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.89 33.08 78.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -141.75 -179.39 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -114.41 -49.3 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -71.09 151.6 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -116.89 165.33 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 145.92 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -96.27 138.9 33.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 84.5 t -112.95 106.69 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -53.61 148.33 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.92 -31.37 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 48' ' ' HIS . 14.7 t -66.43 -29.46 69.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CE1' HD11 ' A' ' 72' ' ' ILE . 69.2 m-70 -87.93 -16.11 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.2 mtp -72.83 -47.3 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -107.11 170.82 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -53.17 -69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.9 t -128.19 -71.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -77.81 137.56 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 12.1 t -128.06 87.4 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.61 -68.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -133.41 96.91 16.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.86 33.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.276 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 60.8 p -78.44 -7.76 57.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.08 -4.09 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.2 mt -87.27 -32.79 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 23.0 m -133.59 -175.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -161.97 139.8 8.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -49.82 119.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.7 -20.67 10.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.61 131.93 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -94.74 135.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 m -141.23 169.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 97.7 m95 -99.74 130.52 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 19' ' ' PHE . 29.7 m -129.78 156.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' CE ' HG22 ' A' ' 89' ' ' VAL . 10.6 ttpp -128.77 126.94 41.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.51 127.78 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 HD11 ' CE1' ' A' ' 48' ' ' HIS . 14.1 pt -111.55 -23.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.77 125.56 1.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -118.38 130.0 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.39 125.8 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.6 mtm -114.39 115.02 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 147.53 26.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.9 -13.83 12.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.26 156.88 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.98 130.45 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -115.47 129.08 56.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.28 127.7 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -112.12 129.46 56.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 23.8 mt -122.62 161.82 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 33.4 t -128.48 149.62 50.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 73.2 mtp -124.35 -33.19 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -63.15 -15.99 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG22 ' CE ' ' A' ' 70' ' ' LYS . 32.7 m -104.82 1.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 21.4 t -128.07 132.38 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.64 142.7 42.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 25.2 mp0 -99.24 -11.6 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.07 -29.56 22.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -127.96 -40.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.24 30.61 8.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -99.64 148.31 24.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.419 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 27.0 t0 -62.49 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.6 mt -97.78 -34.22 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -119.99 76.16 22.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -11.17 30.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -76.14 -32.89 59.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 54.9 47.65 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.4 t -112.63 -9.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.95 -47.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -53.31 -23.17 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.685 0.755 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 53.8 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.83 174.64 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.21 142.8 56.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 62.55 26.61 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -87.48 135.8 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -101.67 127.82 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE1' HG12 ' A' ' 35' ' ' ILE . 14.6 p90 -149.55 163.63 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.9 tt0 -101.89 124.48 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.59 159.11 23.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -103.43 142.11 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -68.6 125.17 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.12 -22.85 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 ttt -148.0 140.38 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 53.5 t -121.88 124.08 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 52.3 p -128.74 163.48 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 26.1 p90 -119.51 8.48 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.92 -170.16 25.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.23 151.05 43.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -93.45 128.99 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 23' ' ' VAL . 49.9 mm -114.6 125.26 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 68.6 mttt -83.12 124.27 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.492 HG12 ' CE1' ' A' ' 19' ' ' PHE . 49.2 mt -79.92 138.07 53.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.82 129.27 17.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.95 33.44 70.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -138.71 178.45 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -113.14 -53.15 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -75.12 153.98 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 53.9 mt-30 -115.26 164.86 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.93 153.33 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.88 136.08 45.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.32 115.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.69 142.37 23.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 47' ' ' THR . 12.4 ptt-85 -59.8 -31.54 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 14.0 t -77.87 -16.72 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' ND1' ' HD3' ' A' ' 88' ' ' LYS . 22.8 m-70 -92.9 -27.63 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.3 mtm -54.93 -41.01 70.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.68 145.4 51.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -64.59 -64.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.22 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -64.62 133.38 52.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -114.41 140.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.86 -30.18 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -132.27 83.32 55.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -21.56 33.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.27 . . . . 0.0 112.409 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 m -69.57 -9.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -106.88 -11.38 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.0 mt -84.57 -39.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.22 155.64 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -148.22 137.38 21.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.55 118.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.11 -21.42 9.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.42 135.72 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 17.3 ttpt -100.64 132.4 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -141.02 167.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 96.8 m95 -98.97 135.71 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG12 ' CG ' ' A' ' 87' ' ' MET . 10.8 m -136.72 161.28 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.427 ' CE ' HG22 ' A' ' 89' ' ' VAL . 11.6 ttpp -130.73 130.28 43.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.64 126.53 27.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.3 pt -110.93 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.46 119.3 0.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 13' ' ' PRO . 14.0 ptm180 -119.3 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.814 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -139.87 124.25 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -116.65 114.14 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -117.21 146.13 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.63 -13.98 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.87 -29.69 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -175.28 157.0 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.75 123.94 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -108.55 127.63 54.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.06 126.47 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -120.32 133.86 55.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.68 160.48 30.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 p -131.71 149.4 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.441 ' CG ' HG12 ' A' ' 69' ' ' VAL . 51.3 mtp -123.44 -15.06 7.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.405 ' HD3' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -71.94 -18.08 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.427 HG22 ' CE ' ' A' ' 70' ' ' LYS . 30.8 m -102.75 3.52 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.97 129.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -64.49 162.85 14.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -112.02 -29.74 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.75 -28.19 73.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 p -134.87 -39.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 18.16 19.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -81.28 145.3 30.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.01 137.87 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.89 -24.25 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -133.37 81.01 56.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.6 Cg_endo -69.78 -2.71 10.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.453 ' OD1' ' CG2' ' A' ' 103' ' ' VAL . 2.5 t-20 -80.44 -30.3 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER 48.41 40.37 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.453 ' CG2' ' OD1' ' A' ' 101' ' ' ASN . 62.2 t -108.93 -34.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mp -53.72 -42.38 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.7 -25.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.8 Cg_endo -69.81 167.77 23.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.263 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.19 176.91 9.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.92 143.74 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.62 28.01 16.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -89.16 137.53 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.06 128.86 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 35' ' ' ILE . 18.4 p90 -151.48 159.78 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 16.7 tt0 -98.07 128.78 44.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.21 164.02 25.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.63 138.05 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.17 129.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.49 -22.06 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 5.2 ttt -147.6 138.52 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.02 123.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.3 p -126.25 160.76 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 2.13 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -125.58 10.12 7.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.39 -168.05 28.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.03 151.22 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 5.7 m-85 -95.29 126.19 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.32 118.65 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -77.44 130.7 37.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 19' ' ' PHE . 40.8 mt -88.18 137.64 31.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 0.0 111.138 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.8 128.16 15.6 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 35.08 61.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.5 m -139.14 176.97 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -116.63 -30.44 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.26 156.3 31.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.03 160.21 13.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.59 139.33 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.375 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 79.0 t -112.12 110.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.18 152.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 47' ' ' THR . 7.9 ptt-85 -60.57 -35.85 77.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 5.3 t -67.84 -24.15 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CE1' HG23 ' A' ' 105' ' ' ILE . 37.5 m-70 -95.08 -19.58 20.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.7 mtp -59.88 -25.55 65.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -169.56 147.19 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -75.79 -51.39 12.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.17 177.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 18.9 ttm105 -60.75 101.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.86 97.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.1 -46.9 17.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -152.35 126.1 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -13.38 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.774 2.316 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.3 p -74.25 -25.32 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.33 -7.14 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.6 mt -85.12 -35.15 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.68 179.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.55 138.36 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.1 t -40.68 114.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.77 -23.6 6.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 137.05 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 34.1 ttpt -101.76 131.92 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.95 169.97 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -98.58 133.83 42.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.04 156.55 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -130.15 126.47 37.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 85' ' ' LEU . 11.4 tp -59.41 128.91 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 ' CG2' ' A' ' 105' ' ' ILE . 9.7 pt -110.38 -29.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.98 109.96 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 9.0 ptm180 -111.88 129.85 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -134.99 123.77 23.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt -118.32 113.94 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -116.72 144.38 44.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -13.75 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 15.0 m-20 -98.16 -31.5 12.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 28.0 mtp180 -167.18 157.14 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.68 127.0 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -123.75 128.96 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.98 129.1 69.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -112.89 131.28 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 71' ' ' LEU . 60.6 mt -125.01 151.5 45.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -121.3 151.27 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.8 mtp -126.06 -27.79 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.03 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.85 28.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -149.76 131.58 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.95 131.68 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -93.21 38.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -143.27 -43.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.1 p -118.98 -23.68 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.83 21.98 51.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -82.58 136.58 34.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.66 121.89 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.73 -28.38 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t70 -125.06 79.46 65.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.07 4.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.44 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 0.9 OUTLIER -90.87 -34.18 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.1 OUTLIER 47.55 51.5 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.0 -21.61 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.404 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.2 mp -61.75 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 48' ' ' HIS . 2.7 pp -54.85 -23.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.7 Cg_endo -69.78 169.02 19.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.247 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 174.92 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.28 140.77 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 20.0 m-85 62.99 28.02 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.6 m -90.08 135.8 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -101.31 130.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 11.2 p90 -151.55 160.2 43.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 15.4 tt0 -96.39 127.07 42.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.12 161.44 25.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -108.31 141.06 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.47 133.35 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.96 -23.72 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.45 ' HE3' ' CG2' ' A' ' 27' ' ' THR . 18.1 ttt -145.43 140.52 27.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -124.58 125.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 31.5 p -129.78 162.11 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.05 0.02 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 39.7 p90 -119.42 1.02 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.26 -163.12 30.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.32 147.98 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -93.69 135.3 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -120.96 127.83 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 26.3 mtmt -81.22 128.28 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 HG12 ' CE1' ' A' ' 19' ' ' PHE . 61.3 mt -85.8 136.06 37.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' N ' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.74 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.15 11.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.426 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -156.39 174.86 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -111.27 -44.31 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -74.01 143.92 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 24.4 mt-30 -117.01 154.71 30.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 83' ' ' VAL . . . -104.0 160.81 15.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.56 134.77 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.06 108.5 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.64 149.35 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.02 -31.15 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -67.25 -31.86 72.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -90.63 -28.46 18.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.3 mtp -44.17 -33.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -154.19 160.87 42.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t -84.85 -50.14 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.03 178.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 13.8 ttm105 -60.01 108.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.72 110.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -111.46 -35.56 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -133.37 88.95 33.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -20.64 34.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -73.09 -12.12 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -102.56 -6.15 23.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.42 -39.7 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.05 167.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.19 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.09 139.61 20.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.0 116.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.66 -18.86 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -86.56 136.9 32.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 25.0 ttpt -100.11 131.91 45.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.1 m -141.04 170.09 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.555 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -100.23 129.9 46.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.463 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 24.3 m -128.59 161.92 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -134.18 125.83 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 85' ' ' LEU . 14.8 tp -58.93 129.84 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -113.11 -24.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 113.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -117.77 130.75 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -141.46 124.02 15.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.61 114.04 24.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.03 143.83 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -60.14 -13.86 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.32 -27.49 13.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 2.6 ptm85 -175.1 153.06 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.59 129.18 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.52 124.14 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG2' ' HA2' ' A' ' 42' ' ' GLY . 1.5 m -131.25 133.17 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -126.34 141.25 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' HD12 ' A' ' 71' ' ' LEU . 20.3 mt -129.22 162.79 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 t -126.12 146.78 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.443 ' CG ' HG13 ' A' ' 69' ' ' VAL . 80.8 mtp -121.44 -21.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -78.58 -12.88 60.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.8 13.09 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -138.08 129.49 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -61.35 133.28 55.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -98.57 50.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.61 -35.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.8 p -125.16 -21.2 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.31 28.23 41.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -90.51 137.41 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 130.24 45.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -106.18 -5.33 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -131.36 81.15 66.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.893 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.42 3.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 25.0 p-10 -112.47 -30.75 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.481 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER 49.62 52.61 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.453 HG11 ' ND2' ' A' ' 101' ' ' ASN . 10.6 p -119.66 -21.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.8 mp -52.28 -45.53 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.15 -19.12 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.31 -176.16 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.34 144.61 49.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 60.76 29.09 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.9 m -90.61 133.99 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -102.14 127.41 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -149.53 161.36 42.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 12.8 tt0 -96.07 130.09 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 163.43 25.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -113.38 142.48 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 24' ' ' ALA . 40.5 t -66.79 134.24 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 23' ' ' VAL . . . -122.43 -20.81 5.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.9 ttt -146.95 140.34 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.54 124.02 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.7 p -126.07 157.9 36.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -5.61 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -116.31 6.47 13.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.25 -166.35 28.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.62 151.53 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' CE1' HD11 ' A' ' 43' ' ' LEU . 53.4 m-85 -96.83 134.96 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.42 131.43 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -85.71 127.28 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -82.18 134.07 49.76 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 0.0 111.196 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.35 25.35 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.2 28.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.28 175.31 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.31 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -112.36 -38.46 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.0 145.36 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -114.67 154.8 27.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.36 148.13 18.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 32' ' ' PHE . 12.0 tp -97.14 140.74 31.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 47.0 t -115.7 116.38 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -53.44 144.09 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.03 -32.46 69.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.5 t -77.99 -16.46 58.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -93.53 -17.26 23.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.401 ' CE ' ' CB ' ' A' ' 57' ' ' PRO . 26.4 mtm -69.36 -34.33 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -146.3 144.55 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 p -79.23 -47.69 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.16 -177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 53' ' ' ARG . 5.7 tmm_? -59.88 132.78 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 60' ' ' ILE . 16.3 t -119.04 119.71 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.51 -44.3 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -147.85 121.95 4.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.571 0.701 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' CB ' ' CE ' ' A' ' 49' ' ' MET . 53.6 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -75.53 -17.91 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -103.76 5.99 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.441 ' CD1' HG13 ' A' ' 54' ' ' VAL . 15.6 mt -105.76 -36.46 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.44 162.37 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -154.44 141.64 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -49.89 121.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.33 -27.73 7.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.98 126.91 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -94.59 131.96 39.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.13 170.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.4 m95 -99.01 133.2 43.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.3 155.51 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -129.66 126.56 38.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CG1' ' A' ' 83' ' ' VAL . 6.1 tp -61.12 130.13 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.0 pt -117.2 -19.67 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.47 115.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -117.35 123.12 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.811 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -132.44 123.72 27.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 ptm -118.26 119.12 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 6.1 tmtm? -115.18 149.68 37.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.464 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 54.7 m-20 -59.85 -14.01 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -98.24 -28.69 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 82' ' ' LYS . 19.9 ptt180 -175.17 156.58 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.89 128.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mtpm? -128.3 129.18 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' HD12 ' A' ' 71' ' ' LEU . 21.5 t -116.0 132.46 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -103.64 130.2 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 49.1 mt -126.43 155.72 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -130.22 145.05 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.1 mtp -120.79 -21.71 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -72.99 -9.98 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.12 11.71 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.17 142.17 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -76.98 125.39 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.07 45.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.53 -35.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.6 p -124.32 -26.21 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.44 31.23 31.19 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -96.35 133.77 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.85 123.12 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -92.87 -30.35 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.45 79.93 60.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.18 9.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -87.6 -27.81 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.78 42.51 31.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -26.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.85 -46.3 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.2 pp -51.84 -25.31 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 35' ' ' ILE . 32.6 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.586 0.707 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.12 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.01 179.6 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.9 149.4 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 43.8 m-85 54.88 25.07 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -84.4 133.98 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -101.41 128.52 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 10.9 p90 -149.28 164.2 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.509 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 11.1 tt0 -97.01 127.13 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.16 163.87 25.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -111.71 146.44 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.46 125.43 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.2 -20.73 11.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 ttt -146.59 135.12 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.55 123.95 72.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -128.2 160.93 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -7.35 40.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -114.36 10.9 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.45 -166.59 26.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.97 151.84 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -94.45 132.14 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -114.0 131.32 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -85.82 127.41 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' CD2' ' A' ' 12' ' ' LEU . 64.3 mt -86.82 130.15 49.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.85 7.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.614 2.209 . . . . 0.0 112.377 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.21 27.69 24.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.8 m -145.47 176.54 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -114.93 -24.99 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -93.08 151.74 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -121.25 149.69 42.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 83' ' ' VAL . . . -104.61 157.3 16.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.63 140.77 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.4 111.3 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -54.06 149.14 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.05 -33.78 72.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -71.01 -22.38 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.1 -10.67 32.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.0 mtp -68.16 -36.75 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -151.96 146.11 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -73.06 -44.89 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m -61.63 -177.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -63.52 100.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.3 t -82.6 114.93 24.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -112.88 -48.96 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -124.15 97.66 40.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -12.73 33.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -80.61 -19.52 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -93.47 -3.07 53.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mt -93.33 -36.11 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.4 171.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.96 148.21 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.32 113.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.11 -25.35 5.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.47 136.1 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 22.5 ttpt -101.77 131.83 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.8 m -141.13 170.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.0 m95 -97.98 132.67 43.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.594 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 34.0 m -128.86 163.63 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.4 ttmt -136.77 126.34 25.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 74' ' ' ARG . 12.7 tp -62.67 133.64 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.0 pt -118.4 -23.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.38 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 17.3 ptt-85 -118.21 129.98 55.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.297 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -144.76 123.95 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.46 114.16 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -116.3 148.8 40.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -13.88 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -94.22 -32.4 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' ' HE2' ' A' ' 82' ' ' LYS . 17.3 ptm180 -175.76 157.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.81 118.45 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HE2' ' CZ ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -104.54 124.87 50.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.473 ' CG2' ' HA2' ' A' ' 42' ' ' GLY . 1.3 m -134.12 133.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -125.47 134.76 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.1 mt -125.06 161.25 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.415 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 8.1 t -135.12 142.68 46.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 53.6 mtp -112.78 -29.72 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -61.98 -19.36 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 ' CG2' ' HE3' ' A' ' 70' ' ' LYS . 4.1 m -102.62 21.32 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 16.8 t -148.18 134.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.9 124.51 24.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -86.24 51.11 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.93 -34.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -125.12 -31.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.04 28.59 17.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.14 134.56 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -56.34 116.53 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.97 -35.33 17.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.96 76.46 3.32 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.648 0.737 . . . . 0.0 110.941 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -19.41 36.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.44 -42.22 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 8.9 m-80 67.31 42.86 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.43 ' CG1' HD13 ' A' ' 104' ' ' ILE . 15.0 p -106.72 -17.55 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.43 HD13 ' CG1' ' A' ' 103' ' ' VAL . 4.3 mp -79.18 -53.9 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 105' ' ' ILE . 2.0 pp -49.85 -25.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.639 0.733 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.72 175.94 7.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 172.39 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.97 145.2 56.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 23.3 m-85 58.72 26.97 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 m -89.88 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.97 132.8 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -154.49 164.68 38.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.557 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 8.5 tt0 -100.47 123.47 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.09 162.46 23.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -108.61 138.8 44.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.65 126.11 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.36 -21.86 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.508 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.7 ttt -147.61 139.75 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.06 123.98 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p -128.74 160.79 31.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -6.56 40.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -117.36 11.72 14.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.93 -168.96 27.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.08 148.66 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 14.4 m-85 -93.33 134.65 35.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.5 mm -121.25 131.76 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 44.5 mttt -84.8 130.09 34.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.533 HG12 ' CE1' ' A' ' 19' ' ' PHE . 55.9 mt -89.77 137.47 28.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.724 . . . . 0.0 111.188 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.1 Cg_endo -69.78 123.35 10.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.94 36.37 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 96.2 m -146.25 170.19 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -109.12 -37.21 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -88.76 152.04 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 23.1 mt-30 -115.51 164.47 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.0 150.76 18.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.56 134.81 41.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -105.93 110.93 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.27 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -59.21 -32.09 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 13.4 t -64.89 -32.03 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.56 -12.89 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.1 mtp -64.13 -24.65 67.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 t -162.85 147.72 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -68.16 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 96.6 m -47.16 171.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.7 99.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.18 119.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -46.4 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -140.68 104.92 6.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -19.53 36.3 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 t -72.55 -10.21 59.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -106.34 1.19 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mt -90.89 -36.56 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.44 177.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -154.79 138.71 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -38.83 122.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -22.81 19.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.15 130.77 35.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.3 ttmt -94.66 131.96 39.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.06 170.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.557 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 99.2 m95 -99.68 132.51 44.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 87' ' ' MET . 19.6 m -134.85 158.28 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -128.69 131.05 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 85' ' ' LEU . 5.9 tp -64.23 128.71 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 pt -110.17 -30.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.36 114.18 0.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 8.9 ptt85 -116.91 129.97 56.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.02 123.81 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.4 mtp -118.03 113.96 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -116.52 143.91 45.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -59.36 -13.8 9.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 32.7 t70 -97.99 -30.06 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 24.5 mtt180 -168.64 157.15 8.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.3 mt -116.94 129.02 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -122.29 129.08 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.07 128.45 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -121.27 132.74 54.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 71' ' ' LEU . 10.5 mt -124.58 160.73 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -126.57 151.04 48.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.457 ' CG ' HG12 ' A' ' 69' ' ' VAL . 71.1 mtp -124.94 -24.84 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -72.89 -19.57 61.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -96.91 5.5 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.66 144.94 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -77.63 151.67 34.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -105.03 -12.63 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.51 -47.39 4.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -117.38 -24.12 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.53 56.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -72.63 160.48 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -78.17 127.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.0 mt -95.86 -28.77 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.56 77.47 75.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.389 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.56 -40.09 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 1.4 m-80 65.44 51.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -118.73 -13.67 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.39 -37.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.46 HD13 ' N ' ' A' ' 106' ' ' GLU . 2.3 pp -53.25 -21.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.46 ' N ' HD13 ' A' ' 105' ' ' ILE . 7.9 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.91 173.77 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.91 141.99 58.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 62.89 25.32 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -90.51 135.23 33.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -101.34 126.69 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CE1' HG12 ' A' ' 35' ' ' ILE . 11.6 p90 -143.01 162.94 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 20.9 tt0 -100.58 121.97 42.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.53 163.94 24.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -109.74 137.45 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 24' ' ' ALA . 54.9 t -63.48 133.24 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -118.64 -20.71 8.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.521 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 8.7 ttt -148.05 139.71 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.18 124.0 71.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.9 p -123.3 159.47 28.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.52 0.85 9.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -128.39 11.64 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.04 -167.46 31.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.72 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.2 m-85 -93.44 136.89 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mm -121.67 129.36 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -82.5 129.86 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 HG12 ' CE1' ' A' ' 19' ' ' PHE . 53.0 mt -87.46 138.02 32.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.777 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.1 Cg_endo -69.71 112.91 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.1 43.91 7.32 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.9 m -150.73 177.9 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -116.72 -35.77 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' CE ' ' HB ' ' A' ' 81' ' ' ILE . 9.0 tptp -88.34 144.64 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -108.4 161.19 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.75 142.24 17.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 tp -93.59 137.65 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.72 105.79 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.403 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 13.4 t-160 -51.86 146.04 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -60.5 -32.16 71.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 ' CG2' ' ND1' ' A' ' 45' ' ' HIS . 15.2 t -67.61 -22.95 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -94.97 -23.96 17.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 57' ' ' PRO . 23.8 mtp -50.37 -53.01 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -132.42 145.29 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -67.1 -58.12 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.4 m -59.59 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -60.37 146.55 43.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.17 137.02 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.36 -40.92 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -145.9 105.02 4.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 54.2 Cg_endo -69.77 -15.69 37.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -74.81 -12.24 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -102.81 -5.19 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.3 mt -85.14 -41.05 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.53 171.4 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.3 144.1 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.32 116.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.19 -22.51 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -84.1 128.72 34.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 21.4 ttpt -97.35 134.25 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.99 169.36 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.4 m95 -99.45 133.11 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG12 ' CG ' ' A' ' 87' ' ' MET . 12.6 m -139.17 157.84 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' CD ' HG23 ' A' ' 89' ' ' VAL . 9.9 pttp -126.8 137.89 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 tp -66.31 130.85 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 pt -111.78 -23.43 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.28 112.94 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -109.43 122.95 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -131.74 123.87 28.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' MET . 3.3 ppp? -117.97 121.48 40.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -117.24 148.55 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -13.78 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -100.33 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -175.79 154.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.417 ' HB ' ' CE ' ' A' ' 40' ' ' LYS . 60.9 mt -119.05 122.27 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -115.56 129.08 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.8 t -121.29 128.39 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -106.73 130.27 54.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 mt -125.64 159.93 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -128.3 154.0 46.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.464 ' CG ' HG12 ' A' ' 69' ' ' VAL . 75.5 mtp -124.75 -35.51 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -62.12 -11.29 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG23 ' CD ' ' A' ' 70' ' ' LYS . 28.9 m -108.88 20.5 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 98' ' ' LEU . 11.0 t -146.13 141.9 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.154 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -76.93 129.8 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -89.26 38.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.74 -36.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 p -122.74 -21.6 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.153 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.72 21.93 60.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -84.12 137.15 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.02 127.85 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 90' ' ' VAL . 32.7 mt -96.14 -15.99 21.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 16.9 p-10 -129.08 78.9 75.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.846 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 1.16 4.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 1.0 OUTLIER -99.6 -37.17 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.72 47.49 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.83 -12.16 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.02 -46.31 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.35 -19.65 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 -173.89 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.93 -178.42 4.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.9 tp -69.23 147.84 50.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 57.73 25.61 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -89.46 143.71 26.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 97' ' ' ASP . 91.7 mt -109.78 135.86 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.1 p90 -156.56 163.39 39.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.425 ' CD ' ' HE2' ' A' ' 66' ' ' LYS . 31.3 tt0 -95.08 127.83 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.5 157.63 23.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -107.65 140.11 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.62 128.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.73 -24.46 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttt -143.03 139.37 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -120.54 124.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -123.14 159.66 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.39 0.28 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -127.54 11.36 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.1 -164.44 29.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.84 150.04 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -93.39 134.45 35.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mm -115.62 129.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -85.04 126.46 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.6 mt -85.95 133.67 40.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 118.74 5.86 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.82 36.47 11.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.1 m -147.44 177.14 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -115.07 -33.44 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -90.61 155.63 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -123.13 155.15 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.05 160.4 13.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -108.89 138.67 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 58.5 t -112.89 115.87 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.43 143.04 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' THR . 7.9 ppt_? -58.89 -31.27 68.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 46' ' ' ARG . 6.8 t -77.99 -14.07 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -96.79 -19.06 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mtm -68.74 -36.69 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 t -144.75 140.34 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -80.2 -51.46 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -48.12 176.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -59.89 98.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.83 125.96 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -108.03 -47.44 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -142.57 113.64 6.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -16.89 37.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -77.03 -11.72 59.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.13 0.35 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.47 -32.03 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.88 152.83 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.98 143.31 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.29 115.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.21 -21.67 7.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.62 127.81 34.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HE2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.51 133.76 39.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.2 m -141.23 164.46 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.13 129.87 37.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.74 155.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -130.87 126.96 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.56 128.81 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.5 pt -111.66 -24.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.24 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 9.0 ptt85 -121.58 123.13 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -130.39 124.01 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 mtp -113.45 113.97 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -116.81 145.61 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.74 -13.88 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 -31.66 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -175.38 157.04 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.3 124.61 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -107.52 128.88 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.63 120.06 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 129.31 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.426 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 19.5 mt -122.8 161.36 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -134.44 144.97 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 75.3 mtp -117.44 -24.24 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' CE ' HG21 ' A' ' 104' ' ' ILE . 9.7 pttp -66.84 -13.99 62.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.3 m -108.9 17.35 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 t -141.78 138.05 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.65 128.98 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -91.92 52.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.56 -36.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -123.22 -26.92 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.92 29.78 22.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.426 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -94.17 134.68 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.414 ' CG ' HD11 ' A' ' 18' ' ' ILE . 20.0 t0 -59.53 123.18 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.72 -33.99 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -112.34 75.69 1.76 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -10.89 29.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.24 -37.53 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 59.57 48.33 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -105.6 -28.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.427 HG21 ' CE ' ' A' ' 88' ' ' LYS . 4.7 mp -70.43 -48.98 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 106' ' ' GLU . 2.4 pp -51.69 -25.74 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' N ' HD11 ' A' ' 105' ' ' ILE . 3.8 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.673 0.749 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.89 13.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.5 178.05 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.33 152.83 45.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 51.56 27.05 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -89.42 140.06 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -107.64 131.55 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CE1' HG23 ' A' ' 69' ' ' VAL . 12.5 p90 -149.56 165.11 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.0 tt0 -101.48 122.45 43.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.97 162.89 24.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.93 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.3 t -66.33 126.23 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.18 -23.63 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttt -147.04 138.84 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.2 t -121.33 124.03 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -128.09 156.79 42.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.57 -6.09 28.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -118.39 8.81 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.35 -172.64 30.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.51 148.01 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -97.67 132.87 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.4 mm -116.0 144.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.44 131.51 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.6 mt -90.36 131.42 38.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.632 0.73 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.19 9.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.77 60.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.05 168.62 19.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.33 -43.49 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -69.99 156.44 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -121.01 165.16 15.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.85 147.7 17.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.74 141.59 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 95.3 t -116.48 105.96 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -49.34 149.15 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -59.14 -31.35 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -74.98 -20.06 59.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -95.92 -22.2 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.9 mtp -52.62 -51.73 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -131.01 152.18 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.6 t -70.38 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 m -55.91 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.54 125.49 24.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -96.0 130.83 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -113.37 -52.5 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -136.76 112.41 9.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.81 27.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -71.11 -7.94 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.54 -1.35 24.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -93.94 -48.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.29 173.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.45 139.41 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.4 t -38.24 117.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -20.67 10.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.12 127.99 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 4.2 ttpm? -93.9 132.0 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.01 169.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.0 m95 -98.22 132.8 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.504 HG23 ' CE1' ' A' ' 19' ' ' PHE . 17.8 m -131.75 163.07 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 99' ' ' ASP . 15.9 ttpt -135.3 133.49 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 74' ' ' ARG . 12.3 tp -68.76 129.78 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.49 -24.81 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.2 110.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 11.1 ptm180 -106.37 127.08 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -137.6 123.95 20.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -117.06 115.13 24.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -115.59 143.89 44.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -59.86 -13.98 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.05 -29.08 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 2.0 ptm85 -175.19 157.03 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.8 mt -109.28 132.44 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 123.18 40.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -121.18 132.48 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.22 126.39 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 31.8 mt -125.72 153.96 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -131.53 153.81 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 50.5 mtp -122.12 -29.72 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -67.79 -8.03 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.13 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.8 t -146.51 135.1 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.3 125.81 26.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -88.99 44.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.34 -36.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.2 p -116.32 -32.65 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.17 26.1 24.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -95.18 135.36 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -57.05 128.66 38.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.8 -21.57 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 14.2 p-10 -120.03 76.49 22.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.28 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -105.94 -31.98 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 60.87 52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -106.07 -23.25 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.74 -55.52 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 pp -46.62 -26.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 35' ' ' ILE . 68.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.636 0.732 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -169.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.16 179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.49 149.13 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 50.7 24.94 1.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -85.2 139.64 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -105.54 131.22 55.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -150.23 167.98 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 17.6 tt0 -106.74 126.11 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.39 161.03 25.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.43 143.33 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 24' ' ' ALA . 37.4 t -65.81 133.68 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 16.2 ttt -145.58 139.36 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -121.41 124.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -131.01 155.16 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.5 -6.52 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.2 6.36 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.44 -170.43 29.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.18 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.4 m-85 -97.35 136.74 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.87 131.7 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE3' ' NE2' ' A' ' 41' ' ' GLN . 29.5 mtpt -82.74 134.07 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.422 HD11 ' CD2' ' A' ' 12' ' ' LEU . 45.2 mt -91.83 136.29 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 111.194 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.72 147.46 63.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.14 13.44 20.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.4 m -130.49 179.34 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -116.59 -48.97 2.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -65.98 152.78 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 52.1 mt-30 -118.49 156.11 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.71 143.64 17.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tp -97.24 139.28 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 48.0 t -112.14 116.21 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -57.26 147.47 25.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.99 -35.31 73.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -70.62 -21.66 62.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -91.08 -15.66 29.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.2 mtp -66.74 -46.89 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 m -106.4 172.0 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -62.91 -68.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.64 -69.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -79.77 133.25 36.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.13 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -62.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -148.8 121.46 4.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -24.02 29.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.4 p -75.52 -4.18 38.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -110.4 -9.96 14.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -89.49 -38.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.19 163.16 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.63 140.2 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.34 120.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.21 -16.13 27.49 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.1 131.04 34.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 31.2 ttmt -98.57 131.96 44.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG2' ' HE2' ' A' ' 87' ' ' MET . 35.8 m -141.02 169.1 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.3 m95 -97.26 132.18 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.35 161.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -135.91 126.68 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 74' ' ' ARG . 15.9 tp -60.87 130.33 45.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG23 ' CG2' ' A' ' 105' ' ' ILE . 9.4 pt -109.57 -30.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 139.82 6.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 44.1 mtp180 -112.89 123.77 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -135.19 123.79 23.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.8 138.63 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -118.04 150.38 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -59.08 -13.66 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.02 -29.21 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -176.15 157.06 1.76 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 82' ' ' LYS . 12.5 mt -96.67 134.28 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -122.02 129.04 52.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.73 130.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -97.19 129.78 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.426 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 72.4 mt -125.81 153.28 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.441 ' CB ' HG21 ' A' ' 89' ' ' VAL . 33.4 m -122.21 153.73 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.447 ' HE2' ' CG2' ' A' ' 67' ' ' VAL . 91.1 mtp -126.22 -27.69 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -77.27 -7.17 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.441 HG21 ' CB ' ' A' ' 86' ' ' SER . 29.7 m -109.18 19.76 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.16 143.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -76.26 123.53 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -86.54 38.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.53 -34.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.6 p -125.74 -26.82 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.97 28.69 27.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.2 137.03 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.725 0.297 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 23.5 t0 -57.66 120.71 8.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.22 -13.9 27.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 16.4 p-10 -127.89 75.99 77.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.817 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.52 -35.56 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 58.48 52.9 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 -17.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -82.9 -48.86 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.42 ' CG2' HG23 ' A' ' 72' ' ' ILE . 2.2 pp -49.55 -26.53 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.417 ' N ' HD13 ' A' ' 105' ' ' ILE . 35.6 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.1 Cg_endo -69.75 -178.84 2.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.24 173.55 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 24.2 tp -62.86 148.16 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 52.46 26.56 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -90.67 137.99 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.14 136.78 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.8 p90 -155.94 170.32 22.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 14.9 tt0 -107.21 125.89 51.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.54 164.02 24.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -110.78 134.31 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.1 128.04 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.86 11.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.499 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 24.5 ttt -147.88 140.86 24.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 61.1 t -123.98 124.46 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 p -127.77 161.94 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -72.88 -1.44 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -121.29 7.59 10.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.67 -166.06 29.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.5 148.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 13.9 m-85 -93.95 136.41 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.9 mm -123.09 136.13 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HE2' ' CD ' ' A' ' 41' ' ' GLN . 74.3 mttt -94.49 121.07 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 19' ' ' PHE . 57.8 mt -82.25 137.88 45.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.634 0.73 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.7 120.13 6.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.83 41.65 22.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.42 -175.5 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -119.8 -32.89 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -116.41 160.7 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' CD ' ' HE2' ' A' ' 34' ' ' LYS . 17.4 mt-30 -107.61 156.02 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.96 158.14 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.55 141.47 43.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 66.4 t -114.87 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.73 150.78 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.68 -31.86 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.8 p -63.38 -34.4 77.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -88.0 -11.44 47.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.57 -23.8 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -133.49 167.59 20.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -58.92 -67.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.4 m -133.39 -69.46 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 128.98 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 t -121.61 95.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.58 -41.71 60.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.66 105.0 1.06 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.8 Cg_endo -69.71 -13.84 35.39 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.467 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 27.3 m -78.85 -24.58 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.2 -6.34 53.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 49.9 mt -83.36 -35.29 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.52 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.81 135.5 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -39.15 122.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.53 -17.52 25.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.67 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 6.6 ttpm? -89.6 132.04 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.06 169.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.0 m95 -103.65 130.5 51.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.693 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 28.6 m -129.7 157.09 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -130.44 126.2 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 17.7 tp -59.29 138.15 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 86' ' ' SER . 6.7 pt -117.28 -32.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.24 137.04 4.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 72.2 mtp180 -109.42 123.05 48.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.09 124.3 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 113.89 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -103.63 148.98 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.34 -13.86 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -97.74 -30.68 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -176.25 156.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.8 121.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.53 129.27 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.88 118.57 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.9 m -97.02 127.2 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 23.9 mt -124.02 159.68 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 16.5 t -127.67 145.32 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 86.7 mtp -123.89 -31.38 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -65.24 -11.28 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' C ' HG21 ' A' ' 90' ' ' VAL . 15.5 m -111.57 24.93 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 86.8 t -153.32 127.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -59.01 157.78 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 70.9 mm-40 -109.75 -21.39 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.63 -23.0 48.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -129.43 -29.9 2.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.44 ' HA3' ' CD2' ' A' ' 68' ' ' TRP . . . 81.83 23.85 56.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -87.47 159.03 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.99 130.96 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.68 -21.85 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -132.99 75.93 71.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.89 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.16 17.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.665 2.244 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 68.8 m-80 -78.34 -47.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 101' ' ' ASN . 1.9 m-80 73.29 42.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -107.08 -17.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mp -76.67 -61.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -45.0 -28.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 32.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.563 0.696 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.81 174.94 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 tp -66.04 145.66 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 60.63 26.0 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.9 m -90.28 139.18 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -105.68 130.49 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -151.29 162.74 40.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.576 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 18.5 tt0 -100.15 128.6 46.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.6 157.15 23.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.545 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.24 145.54 27.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -72.63 125.26 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.72 -24.86 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -148.09 138.16 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.03 123.97 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.7 p -126.19 160.36 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.52 1.65 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -124.94 5.51 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.38 32.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.91 146.94 31.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.34 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.14 134.23 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.3 mm -120.46 128.5 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -82.78 123.6 29.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.53 HG12 ' CE1' ' A' ' 19' ' ' PHE . 58.8 mt -82.95 130.65 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.94 41.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.17 -17.98 8.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 12' ' ' LEU . 1.9 t -115.68 168.67 9.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 mtm105 -103.94 -36.01 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -66.48 142.81 57.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -113.11 164.26 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.41 151.13 17.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.6 tp -103.17 134.57 46.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.09 111.45 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.16 147.79 15.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.31 -33.25 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -68.23 -32.8 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -85.09 -19.92 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 mtp -62.08 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -126.06 164.26 21.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 m -49.91 -69.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -134.58 -66.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -67.7 127.42 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.07 82.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -70.83 -54.24 12.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -149.13 104.93 3.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.05 37.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.3 t -82.47 -9.85 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -99.39 -14.72 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -78.94 -30.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.6 m -143.48 175.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -161.68 141.28 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.87 120.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.48 -23.83 11.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -82.33 128.26 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HE2' ' CG ' ' A' ' 20' ' ' GLN . 26.8 tttt -94.45 133.11 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.3 m -141.18 170.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 93.9 m95 -101.22 133.27 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.9 m -131.82 159.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -127.52 134.76 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 85' ' ' LEU . 10.1 tp -68.84 133.74 48.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -118.4 -24.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.49 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -119.76 125.56 48.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -142.28 123.94 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -116.92 114.12 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -116.7 146.46 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.47 -13.93 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.35 -31.94 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -175.61 157.07 2.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.2 mt -112.25 132.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -120.64 128.93 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.89 127.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -117.04 128.45 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 71' ' ' LEU . 59.2 mt -122.83 158.65 29.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -131.22 148.23 52.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 58.9 mtp -120.9 -27.97 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.69 -26.03 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.7 m -96.97 11.26 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.6 142.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.04 130.24 34.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -88.81 51.06 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.7 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.1 p -120.38 -22.4 6.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 29.35 50.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.23 144.57 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 109.19 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.85 -37.4 55.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -117.82 75.81 10.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.68 -11.28 30.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -70.99 -34.37 71.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 4.8 m-80 56.16 38.46 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.87 -21.73 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.78 -48.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.0 pp -54.45 -23.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.649 0.737 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.6 Cg_endo -69.74 -177.61 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.392 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.13 173.07 8.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -67.1 142.62 57.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 64.41 26.72 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -88.38 136.04 33.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.0 mt -103.68 127.79 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 9.5 p90 -151.13 159.16 44.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 13.3 tt0 -94.93 123.59 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 163.99 22.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.45 141.38 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.59 131.98 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.5 -22.19 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 ttt -147.99 139.28 23.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -122.51 124.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -129.93 160.94 32.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.31 -2.93 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -120.05 10.77 11.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.21 -173.42 24.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.41 151.26 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -92.97 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.6 mm -118.22 123.18 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -74.97 133.2 41.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 38' ' ' CYS . 63.1 mt -90.01 131.93 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.41 16.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 -37.5 2.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 99.7 m -78.02 -178.52 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -115.08 -46.87 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 14.7 tppt? -73.64 152.9 40.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mp0 -116.27 166.92 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.997 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.15 154.47 16.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.36 137.78 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.0 t -111.23 102.49 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.89 153.15 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 47' ' ' THR . 11.4 ptt180 -59.4 -32.26 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 13.4 p -64.5 -29.38 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -90.92 -31.93 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 mtp -44.21 -32.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 t -157.48 146.91 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -63.05 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -53.81 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmt-85 -60.45 169.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 100.0 t -144.09 133.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.55 -36.17 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -148.97 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.7 Cg_endo -69.78 -19.15 36.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.1 p -74.09 -3.61 30.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -108.41 -5.35 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt -93.99 -47.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.37 169.87 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' VAL . 2.3 m-20 -157.81 136.12 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . 99.5 t -37.43 119.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.86 -27.57 7.43 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.549 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -79.09 127.19 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 15.1 ttpp -100.2 132.43 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.3 m -141.21 170.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.4 m95 -92.29 141.3 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 87' ' ' MET . 2.8 m -138.02 162.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -134.92 125.29 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 74' ' ' ARG . 9.2 tp -60.14 129.76 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.409 HG21 ' CG2' ' A' ' 105' ' ' ILE . 6.1 pt -113.9 -26.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.48 108.79 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 10.4 ptt85 -117.46 136.19 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -147.11 123.91 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 ttt -116.29 114.13 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -116.33 143.56 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -59.0 -13.64 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 10.6 t70 -101.98 -28.85 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 12.8 mtp180 -167.44 157.1 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.31 130.87 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 129.04 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.5 t -131.32 127.86 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -120.66 132.35 55.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.5 mt -123.82 159.01 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -121.68 152.06 39.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.432 ' CG ' HG12 ' A' ' 69' ' ' VAL . 80.5 mtp -124.04 -23.87 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -79.02 -21.25 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 99' ' ' ASP . 16.3 m -99.64 28.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -150.74 128.87 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -61.04 136.99 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 87' ' ' MET . 35.7 mm-40 -100.99 48.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.03 -40.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.3 p -117.87 -25.28 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.85 30.84 30.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -91.36 134.44 34.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.17 130.03 44.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 mt -101.58 -26.17 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' CG ' ' HB ' ' A' ' 89' ' ' VAL . 28.0 p-10 -120.07 76.41 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.288 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -102.86 -38.51 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 68.93 50.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -32.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -65.45 -51.94 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.409 ' CG2' HG21 ' A' ' 72' ' ' ILE . 2.2 pp -52.2 -23.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 81.1 p -84.16 117.33 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 46.7 m -86.82 120.01 27.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 172.51 155.35 11.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 60.2 m -78.32 148.03 33.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.7 t -105.63 -47.55 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -170.72 140.81 6.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.72 -25.47 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -112.46 101.71 9.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -95.01 144.94 25.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 133.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -131.25 133.96 25.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 0.0 110.812 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -174.0 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -101.34 97.6 8.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.2 p -111.96 169.74 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 tpp -52.65 -27.54 17.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -93.71 58.44 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -84.13 -40.55 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 mt -47.85 155.25 0.85 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.0 Cg_endo -69.74 169.53 18.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.735 2.29 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.66 171.02 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 22.7 tp -66.74 140.49 57.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 60.71 27.64 17.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.9 m -89.64 141.08 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -103.39 131.39 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.6 p90 -150.72 170.56 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.515 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -109.07 122.97 48.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.66 163.61 24.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -108.16 147.75 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 33' ' ' ILE . 34.4 t -73.9 127.33 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.11 -25.2 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.9 ttt -146.62 140.35 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.1 124.53 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.1 p -126.11 160.91 28.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -126.6 8.72 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.51 -169.04 30.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.61 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -93.06 135.95 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 23' ' ' VAL . 42.0 mm -121.15 140.9 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -95.75 122.09 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 19' ' ' PHE . 39.7 mt -85.07 137.6 37.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.6 Cg_endo -69.8 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.36 48.59 4.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -138.29 -175.45 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -122.37 -29.71 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -114.72 158.48 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -109.63 151.99 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.42 156.63 17.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 tp -110.87 138.62 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 76.6 t -113.87 100.72 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.53 153.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -60.47 -32.3 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.8 p -63.52 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.2 -22.68 17.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.0 mtp -50.86 -33.52 24.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 t -154.98 129.91 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -51.51 -58.12 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.5 p -59.76 -177.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -62.46 132.87 53.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -111.75 111.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.67 -41.18 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -133.63 88.41 33.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -17.77 36.87 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.1 p -75.72 -5.03 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -110.23 -16.42 13.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.4 -41.68 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 170.36 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.93 137.72 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -38.9 125.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.47 -17.87 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.77 136.27 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HD3' ' CD ' ' A' ' 20' ' ' GLN . 17.6 ttmm -103.28 131.92 49.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.5 m -141.07 170.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.8 m95 -98.52 132.18 44.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.631 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 32.9 m -132.32 158.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -129.45 128.18 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 12.3 tp -61.53 127.7 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.22 -25.42 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 118.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.457 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -120.6 125.06 46.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.736 0.303 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.11 124.04 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -116.82 113.99 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -117.99 146.16 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.61 -13.86 11.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.02 -29.32 13.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 3.5 ptm85 -175.55 157.04 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.0 mt -116.71 130.8 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -117.75 128.98 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.45 127.8 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -116.3 128.08 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 62.5 mt -120.82 152.35 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -126.5 149.64 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.461 ' CG ' HG12 ' A' ' 69' ' ' VAL . 81.7 mtp -123.69 -29.34 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.94 -10.7 22.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.5 m -111.73 13.14 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.22 131.2 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.68 167.52 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -118.4 -11.89 9.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.35 -34.21 7.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 p -126.24 -32.18 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.67 15.47 54.69 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -76.04 146.07 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.87 131.87 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.3 mt -107.37 -17.95 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -130.45 75.76 78.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -2.02 9.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -88.86 -41.13 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 64.07 43.4 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.39 -37.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mp -61.76 -41.74 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 pp -57.35 -20.13 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -93.16 121.91 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -54.16 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.84 13.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 143.68 51.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.2 t -162.38 166.5 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.1 t -89.86 158.92 17.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.788 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 82.8 p -130.53 -40.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 89.8 p -113.05 84.31 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 163.84 -179.31 38.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 68.1 m -105.61 122.85 46.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.9 p -109.51 129.11 55.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 1' ' ' MET . . . -125.27 -62.58 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.529 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 0' ' ' GLY . 75.9 mmm -37.95 -50.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -38.71 126.22 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 p -99.86 105.79 17.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.38 152.74 10.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.3 144.03 24.23 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 165.42 31.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.58 105.99 0.5 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -129.96 160.86 32.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 ttt -49.52 94.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -112.06 25.87 11.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.7 -46.57 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 35' ' ' ILE . 29.4 mt -52.73 156.1 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.75 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.277 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.19 171.76 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.34 140.54 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 64.37 26.73 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -90.99 135.11 33.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.8 mt -101.21 127.64 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.7 p90 -149.37 164.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -101.0 129.18 46.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.73 163.68 25.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -110.58 140.65 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.68 129.68 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.65 -21.99 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.544 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.1 ttt -147.98 139.1 23.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.93 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.1 p -124.71 160.36 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -72.52 1.4 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -126.59 9.75 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.97 -169.81 30.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.98 148.97 34.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 28.6 m-85 -93.2 129.57 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.5 mm -112.79 132.36 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -84.79 125.7 32.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.57 HG12 ' CE1' ' A' ' 19' ' ' PHE . 45.9 mt -88.41 136.03 32.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.646 0.736 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.2 Cg_endo -69.68 135.02 29.58 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.68 72.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.5 m -133.37 172.71 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -110.74 -42.62 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.85 155.04 20.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -117.1 168.52 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 153.62 16.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.18 132.93 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -106.09 100.53 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.16 153.45 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -61.28 -31.08 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.6 p -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -95.58 -22.81 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.2 mtp -50.15 -37.81 36.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 27.6 t -152.97 -179.58 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' OG ' ' A' ' 50' ' ' SER . 94.7 p -108.92 -41.76 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.804 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.97 -174.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -59.97 105.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 40.7 t -90.38 124.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.49 -57.75 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.04 90.3 7.7 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.92 33.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.747 2.298 . . . . 0.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -81.38 -17.22 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.02 -10.36 28.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.5 mt -81.28 -32.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.63 170.69 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.28 136.16 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -41.68 121.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.62 -22.23 13.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.92 126.39 32.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.2 ttpp -93.28 132.04 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.08 169.37 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.457 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.7 m95 -98.82 140.81 32.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 HG13 ' CG ' ' A' ' 87' ' ' MET . 5.4 m -140.04 164.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -133.6 123.07 24.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' ' CD2' ' A' ' 85' ' ' LEU . 10.0 tp -60.54 130.8 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -115.34 -24.49 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.47 109.69 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 7.2 ptm180 -113.09 126.77 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -137.27 123.9 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.0 ttt -118.11 114.1 22.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -115.01 141.84 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -59.34 -13.72 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 18.6 t0 -101.31 -28.61 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 16.1 mtp180 -166.84 157.08 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.15 129.77 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -130.87 129.06 41.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -126.58 129.08 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -111.18 129.47 55.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 29.4 mt -125.16 154.9 40.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 11.8 t -116.76 151.1 37.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.452 ' CG ' HG13 ' A' ' 69' ' ' VAL . 71.8 mtp -122.35 -35.22 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -67.14 -21.62 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 86' ' ' SER . 33.2 m -100.54 26.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 22.3 t -148.21 130.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -67.07 132.21 47.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -95.25 43.74 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.04 -34.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 p -125.65 -25.09 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.78 31.69 32.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -96.06 136.39 36.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -55.39 119.39 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.3 -33.46 16.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.04 79.17 42.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.712 0.768 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.0 35.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.733 2.289 . . . . 0.0 112.356 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 -38.48 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.61 49.21 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.01 -35.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.2 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.23 -49.08 85.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -53.06 -21.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -83.93 92.38 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 62.2 p -119.69 149.35 42.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.82 -99.28 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.63 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.364 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.7 p -167.53 166.13 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 t -82.69 157.26 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 93.5 p -170.2 162.29 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.792 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.3 p -112.16 167.58 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 57.16 101.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.3 t -94.74 -59.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.6 t -133.16 142.08 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.46 81.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.23 33.99 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -72.11 133.61 45.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -81.25 -55.5 4.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.21 -119.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -147.89 144.24 18.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.24 32.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -107.93 103.45 12.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 9' ' ' MET . 1.9 t -115.96 176.53 5.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.443 ' N ' ' OG1' ' A' ' 8' ' ' THR . 4.8 ptp -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' THR . 19.7 mt-10 -115.0 168.09 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -93.29 22.71 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 35' ' ' ILE . 33.1 mt -64.71 151.9 91.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.3 Cg_endo -69.85 -173.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.274 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.86 -179.37 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 tp -68.97 147.2 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 55.19 26.35 8.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -91.14 132.91 35.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -101.21 139.07 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 10.1 p90 -154.6 164.13 39.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 10.5 tt0 -98.42 120.59 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' C ' ' HD3' ' A' ' 66' ' ' LYS . . . -131.55 162.43 23.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.08 140.93 41.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 24' ' ' ALA . 39.9 t -66.09 133.42 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 23' ' ' VAL . . . -117.7 -23.25 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.29 140.29 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.91 124.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.476 ' OG1' ' CE1' ' A' ' 29' ' ' TYR . 71.3 p -130.24 162.5 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -72.8 -0.67 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CE1' ' OG1' ' A' ' 27' ' ' THR . 13.0 p90 -118.34 6.33 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.85 -167.26 27.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.73 149.18 40.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -95.77 124.47 39.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.41 131.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 35.1 mtmt -86.85 125.77 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.0 mt -86.32 135.63 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.708 0.765 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' N ' HG21 ' A' ' 35' ' ' ILE . 53.7 Cg_endo -69.78 129.94 18.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.35 23.63 75.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.7 t -132.58 167.94 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -111.49 -19.67 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.76 151.2 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 20.5 mt-30 -118.7 153.88 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.09 149.39 17.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -99.46 140.24 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 54.5 t -113.75 103.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.408 ' ND1' HG21 ' A' ' 47' ' ' THR . 3.1 t-160 -49.59 151.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 47' ' ' THR . 6.8 ptt-85 -60.04 -34.44 73.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 2.8 p -63.27 -25.59 68.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -95.52 -25.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.1 mtp -48.34 -44.54 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -146.36 156.53 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.01 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -60.12 113.66 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.65 110.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -118.4 -55.22 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 81.76 1.51 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -13.16 34.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -89.04 -11.34 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -99.1 -11.46 21.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.1 mt -83.71 -34.16 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.81 172.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -156.26 168.4 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.44 115.5 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.35 -19.4 9.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -85.69 127.6 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 tppp? -87.44 134.92 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.12 157.4 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.4 m95 -93.09 139.31 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 87' ' ' MET . 2.6 m -143.89 159.37 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' CD ' HG22 ' A' ' 89' ' ' VAL . 24.5 pttt -131.38 133.06 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' A' ' 74' ' ' ARG . 20.1 tp -60.83 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CG1' ' HB3' ' A' ' 84' ' ' SER . 13.5 pt -112.95 -24.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.96 137.5 4.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.459 ' CG ' HD22 ' A' ' 71' ' ' LEU . 31.0 mtp180 -111.4 124.56 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' LYS . 44.0 mm-40 -142.83 123.74 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -118.09 128.81 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 152.53 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.06 -13.81 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.43 -31.17 12.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -176.06 157.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -87.74 134.44 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLU . 14.8 mmmt -117.66 128.92 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -123.7 128.9 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 72' ' ' ILE . 4.3 m -100.75 125.59 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 59.9 mt -124.7 152.8 43.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.3 t -121.12 150.1 41.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 69' ' ' VAL . 77.9 mtp -122.4 -37.62 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -66.63 -11.4 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.451 HG22 ' CD ' ' A' ' 70' ' ' LYS . 15.5 m -107.32 18.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 t -145.47 142.1 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -72.76 127.31 32.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.22 48.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.41 -39.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -117.32 -20.93 8.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 111.165 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.493 ' HA2' ' CG ' ' A' ' 68' ' ' TRP . . . 80.8 25.56 55.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -94.2 133.71 37.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.29 125.07 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.1 mt -90.01 -29.78 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 1.6 t70 -129.51 77.18 77.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.696 0.76 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.14 6.44 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -82.39 -25.55 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 48.76 50.76 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.4 p -112.78 -19.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.437 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.1 mp -77.37 -47.53 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -55.6 -21.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -86.97 -58.3 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -78.94 105.9 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.2 -88.61 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.559 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 173.55 10.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.7 t -146.47 126.96 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -167.44 159.56 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 60.1 p -138.46 154.87 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.7 t -133.92 172.95 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.97 114.79 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 72.1 m -161.95 145.89 12.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.9 t -128.01 138.23 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 160.39 163.36 13.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt -133.16 130.1 38.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -115.36 106.87 14.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -128.26 159.44 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.63 104.69 2.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -102.28 149.77 36.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.4 p -69.54 161.35 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.1 tpt -49.11 -45.48 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.81 170.49 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -87.22 29.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -56.73 151.43 31.64 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.626 0.727 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.81 178.78 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.312 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.11 175.51 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.25 143.92 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.47 25.15 15.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 18' ' ' ILE . 51.7 m -86.8 150.64 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 17' ' ' THR . 84.0 mt -113.27 134.69 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 69' ' ' VAL . 10.7 p90 -155.75 160.1 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 12.4 tt0 -96.47 125.95 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 159.95 24.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -110.92 144.14 40.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 33' ' ' ILE . 41.0 t -67.27 132.71 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' HG11 ' A' ' 23' ' ' VAL . . . -119.58 -21.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.2 ttt -147.87 141.02 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.77 124.73 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 p -121.72 161.24 22.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.47 3.19 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -131.3 16.18 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.96 -163.3 27.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.8 152.09 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -94.37 135.34 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 23' ' ' VAL . 16.1 mm -121.92 128.78 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -83.57 131.82 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 19' ' ' PHE . 53.0 mt -85.34 135.41 38.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 32.24 25.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -151.99 -178.7 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -119.53 -33.9 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 150.6 46.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -121.92 142.99 49.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 83' ' ' VAL . . . -106.63 153.05 16.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.478 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -101.62 141.15 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.01 104.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -54.32 153.53 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 6.5 mtm105 -58.83 -37.26 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -59.97 -25.91 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.33 -13.82 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.459 ' CE ' HG21 ' A' ' 61' ' ' VAL . 47.8 mtp -71.59 -28.79 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -128.18 -178.04 4.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -76.26 -61.04 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -129.75 -66.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.89 132.13 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 t -124.69 86.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.88 -60.66 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -148.38 134.12 9.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.37 25.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.5 p -76.3 -2.48 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -106.47 -12.37 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.9 mt -95.15 -43.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG21 ' CE ' ' A' ' 49' ' ' MET . 5.3 m -132.41 159.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.14 142.73 24.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -45.04 116.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.44 -23.38 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.58 126.33 32.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -95.6 131.78 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -141.11 170.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.2 m95 -96.97 131.5 43.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 19' ' ' PHE . 33.2 m -130.64 157.25 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -131.7 128.1 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.52 129.45 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.401 HG21 ' CG2' ' A' ' 105' ' ' ILE . 17.4 pt -112.36 -28.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.1 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -120.21 129.14 53.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.55 125.34 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -112.81 114.24 26.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.83 145.22 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -59.85 -13.96 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.76 -28.97 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -175.27 156.94 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.6 mt -103.87 129.74 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -117.91 124.06 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG2' ' HA2' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -133.72 133.13 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -120.02 132.54 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.6 mt -121.53 157.75 30.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 p -126.91 144.45 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.434 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 81.2 mtp -117.07 -33.4 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -64.21 -27.87 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.91 22.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.0 t -148.5 124.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.23 128.88 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 87' ' ' MET . 19.3 mp0 -90.9 45.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.03 -35.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -123.36 -31.72 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.087 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.6 12.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.25 135.55 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.54 124.09 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.37 -25.14 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 15.3 p-10 -112.38 75.96 1.85 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.698 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -109.35 -37.45 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.86 44.87 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.05 -22.99 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.51 -40.72 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.401 ' CG2' HG21 ' A' ' 72' ' ' ILE . 2.6 pp -59.79 -19.85 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -93.02 91.36 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.7 t -114.13 87.39 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.86 68.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.56 7.48 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -162.96 135.58 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.7 p -124.8 160.57 28.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 91.7 p -53.55 156.13 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 23.0 t -95.45 -55.12 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.92 86.68 0.11 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.42 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.3 m -165.74 157.45 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 40.0 t -130.43 133.85 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -171.43 -117.22 0.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -143.95 156.77 44.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -139.82 152.0 46.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -99.71 146.58 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.03 152.97 20.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -84.31 142.87 41.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 166.38 27.84 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.396 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -157.06 137.23 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.0 p -49.4 -19.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 tpp -130.31 78.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 11' ' ' ASN . 10.8 pt-20 -112.45 -34.86 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' GLU . 94.4 m-20 -36.63 -43.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -49.7 145.02 8.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 177.33 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.1 tp -67.12 143.12 56.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 60.86 26.72 16.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -89.99 145.75 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 97' ' ' ASP . 62.6 mt -108.91 130.66 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 35' ' ' ILE . 17.7 p90 -151.39 160.67 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.584 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 13.7 tt0 -100.14 125.25 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 163.89 24.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -107.55 141.37 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.59 130.9 33.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.41 -25.63 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.409 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 6.7 ttt -147.98 141.12 25.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.35 124.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 p -123.97 157.51 34.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.89 -0.63 9.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -126.77 12.62 7.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.08 -169.47 30.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.45 148.85 31.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 12.6 m-85 -94.61 129.52 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mm -117.27 134.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HD3' ' NE2' ' A' ' 41' ' ' GLN . 13.0 mtmm -89.29 132.95 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 19' ' ' PHE . 51.2 mt -90.77 137.6 26.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.3 Cg_endo -69.73 121.24 7.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.17 28.69 39.96 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -145.4 164.43 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -101.9 -42.6 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -73.61 149.16 42.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' HD3' ' A' ' 34' ' ' LYS . 75.7 mt-30 -116.16 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.92 161.64 12.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -116.54 138.93 51.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.3 t -112.2 103.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -47.75 152.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 2.4 ppt_? -58.9 -31.04 68.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 46' ' ' ARG . 43.3 p -63.85 -42.81 97.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -78.34 -26.1 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.7 mtp -54.16 -30.32 48.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -121.78 176.53 5.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -92.11 -44.37 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.8 m -131.48 -73.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.54 68.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -46.35 -57.43 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -157.94 120.62 2.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.34 30.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -76.25 -4.97 44.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -109.02 -21.48 12.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 mt -72.48 -37.79 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 6.0 m -138.97 174.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -161.89 140.18 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -43.99 125.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.91 -23.37 27.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -81.6 129.42 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 1.1 ttmp? -94.84 131.93 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.04 168.19 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 96.2 m95 -96.73 141.17 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' C ' HG22 ' A' ' 90' ' ' VAL . 34.0 m -140.32 159.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 90' ' ' VAL . 19.0 ttpt -130.15 128.93 42.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 tp -63.49 135.57 56.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.9 pt -116.13 -33.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.39 123.58 1.3 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -111.84 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -130.75 123.98 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtp -117.39 113.98 22.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -117.38 143.29 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.85 -13.98 13.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.97 -29.96 13.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -175.15 156.78 2.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.4 mt -110.14 128.94 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -118.16 129.05 55.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.3 118.95 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -101.72 134.24 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.74 158.63 35.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 5.9 t -116.17 147.77 41.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 80.0 mtp -124.44 -22.16 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -82.15 -21.89 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 86' ' ' SER . 26.0 m -97.66 9.54 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 11.5 t -129.14 129.13 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -67.16 137.79 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -98.45 47.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.57 -38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.7 p -118.94 -32.64 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.26 28.11 16.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 139.12 31.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 19.1 t0 -60.82 116.92 4.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.6 mt -82.64 -37.79 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.71 78.83 12.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -11.91 31.66 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.3 -44.28 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 71.51 42.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.76 -31.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.19 -59.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.424 ' C ' HD13 ' A' ' 105' ' ' ILE . 2.6 pp -45.47 -31.6 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.97 131.79 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -105.2 139.88 39.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 179.16 146.04 6.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 101.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -87.46 142.36 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.7 p -106.57 125.57 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 75.5 m -148.45 162.72 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 14.5 t -54.81 134.99 48.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -55.68 -66.71 2.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.1 t -111.58 104.67 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.6 p -136.38 133.9 37.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.42 -167.76 33.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttt -77.78 146.27 35.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 71.12 28.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -40.52 145.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 -109.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -117.26 89.59 31.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 102.59 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -127.01 73.53 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p -152.83 172.25 17.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ptp -123.23 52.8 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -79.79 90.06 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -101.45 -38.1 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.86 156.4 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.7 178.54 4.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.742 2.295 . . . . 0.0 112.316 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.55 174.01 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -69.11 144.06 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 61.46 25.98 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -88.4 138.45 31.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.209 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 97' ' ' ASP . 82.2 mt -103.87 130.67 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE1' HG12 ' A' ' 35' ' ' ILE . 9.2 p90 -151.01 157.98 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 19.4 tt0 -95.9 122.24 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.83 163.78 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -110.54 136.51 49.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 24' ' ' ALA . 45.5 t -61.07 133.23 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 23' ' ' VAL . . . -115.63 -23.94 8.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -147.99 140.96 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 72.0 t -120.93 123.98 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.1 p -123.51 159.95 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.44 1.49 7.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -127.68 11.43 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.28 -170.99 29.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.564 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.97 147.75 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -93.08 128.14 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.0 mm -110.07 139.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -95.8 126.57 41.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG12 ' CE1' ' A' ' 19' ' ' PHE . 46.5 mt -85.42 137.21 36.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.74 120.12 6.96 Favored 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.84 44.5 24.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.38 -177.58 5.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -115.66 -49.8 2.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -88.5 153.77 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -109.59 160.07 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.8 147.5 17.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 tp -100.78 137.16 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.92 101.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -48.66 153.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 47' ' ' THR . 15.9 ptt180 -60.54 -35.06 75.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 9.5 t -69.77 -20.89 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -95.43 -20.73 18.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 58.0 mtp -61.62 -39.09 90.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -153.72 143.57 21.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.9 t -71.92 -48.48 45.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.7 m -52.75 178.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.61 97.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.1 t -72.12 115.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.62 -54.03 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -129.92 95.76 27.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.71 33.58 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.461 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 2.4 m -77.88 -7.68 57.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.12 -14.92 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.74 -31.05 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.7 m -145.75 173.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -157.34 134.55 10.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 62' ' ' ASP . 91.6 t -35.35 121.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.11 -22.31 11.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -81.04 126.87 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 32.4 ttmt -95.95 131.98 41.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -141.06 170.03 14.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 95.9 m95 -99.98 129.85 46.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.54 158.27 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -126.47 134.24 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.56 127.02 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.1 pt -110.5 -25.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.38 118.64 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -119.91 126.83 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -139.0 124.03 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.1 mtp -114.71 114.5 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -117.77 143.9 45.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.04 -13.99 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.97 -28.96 13.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -175.03 157.02 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.6 mt -112.57 131.93 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -119.34 128.92 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.32 125.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -113.11 127.41 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.6 mt -120.83 148.4 44.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.0 t -120.21 149.3 42.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 75.9 mtp -122.27 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.37 -22.91 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 99' ' ' ASP . 32.7 m -98.93 12.54 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.61 130.65 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.76 124.83 24.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -88.98 41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.29 -33.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.9 p -128.46 -28.71 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.13 28.3 15.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -91.69 138.04 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' CB ' HD13 ' A' ' 18' ' ' ILE . 17.1 t0 -62.7 116.93 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.2 mt -82.12 -21.72 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 19.4 p-10 -127.2 78.37 74.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.723 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 0.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.783 2.322 . . . . 0.0 112.278 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -98.89 -37.62 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 62.33 51.77 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.4 t -111.23 -14.47 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.35 -56.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 pp -46.52 -27.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -81.39 100.9 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 m -63.55 168.88 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 53.8 84.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 145.14 56.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.7 m -54.12 153.44 5.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.8 p -121.68 128.85 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 36.8 m -63.05 -56.78 14.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.788 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.1 m -65.73 -46.03 80.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 105.88 -78.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.7 t -131.19 166.44 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 42.3 m -103.45 111.66 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -133.21 -166.37 11.39 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt -161.21 137.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.307 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -125.8 132.86 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -60.63 145.29 49.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.27 -37.06 11.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -131.86 82.66 59.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' THR . 14.9 mt-10 63.55 38.7 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLU . 68.3 p -37.09 -52.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.4 ttp -81.52 101.74 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 38' ' ' CYS . 8.9 tp10 -52.96 156.14 2.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.09 58.36 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -41.2 156.26 0.21 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.624 0.726 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 179.28 3.76 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.94 -178.54 4.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 tp -69.72 148.44 49.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 55.98 28.33 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.1 m -90.69 136.58 32.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 97' ' ' ASP . 93.3 mt -101.85 130.02 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 69' ' ' VAL . 7.6 p90 -149.14 159.29 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' CZ2' ' A' ' 68' ' ' TRP . 24.5 tt0 -95.34 122.15 37.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.78 159.58 22.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -109.68 134.83 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.54 132.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.48 -22.08 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -147.87 139.89 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 84.4 t -124.91 125.37 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.6 p -129.66 161.1 31.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.37 0.58 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -123.24 9.81 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.09 -167.64 27.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.89 147.14 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.33 134.6 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.7 mm -120.77 133.97 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -85.4 123.03 30.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -71.79 136.52 82.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 126.57 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.89 33.08 78.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' CB ' ' HG2' ' A' ' 10' ' ' GLU . 61.5 m -141.75 -179.39 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -114.41 -49.3 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -71.09 151.6 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -116.89 165.33 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 145.92 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -96.27 138.9 33.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 84.5 t -112.95 106.69 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -53.61 148.33 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.92 -31.37 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 48' ' ' HIS . 14.7 t -66.43 -29.46 69.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CE1' HD11 ' A' ' 72' ' ' ILE . 69.2 m-70 -87.93 -16.11 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.2 mtp -72.83 -47.3 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -107.11 170.82 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -53.17 -69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.9 t -128.19 -71.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -77.81 137.56 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 12.1 t -128.06 87.4 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.61 -68.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -133.41 96.91 16.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.86 33.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.276 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 60.8 p -78.44 -7.76 57.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.08 -4.09 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.2 mt -87.27 -32.79 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 23.0 m -133.59 -175.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -161.97 139.8 8.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -49.82 119.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.7 -20.67 10.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.61 131.93 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -94.74 135.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 m -141.23 169.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 97.7 m95 -99.74 130.52 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 19' ' ' PHE . 29.7 m -129.78 156.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' CE ' HG22 ' A' ' 89' ' ' VAL . 10.6 ttpp -128.77 126.94 41.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.51 127.78 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 HD11 ' CE1' ' A' ' 48' ' ' HIS . 14.1 pt -111.55 -23.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.77 125.56 1.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -118.38 130.0 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.39 125.8 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.6 mtm -114.39 115.02 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 147.53 26.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.9 -13.83 12.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.26 156.88 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.8 mt -94.98 130.45 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -115.47 129.08 56.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -131.28 127.7 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -112.12 129.46 56.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 23.8 mt -122.62 161.82 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.439 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 33.4 t -128.48 149.62 50.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 73.2 mtp -124.35 -33.19 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -63.15 -15.99 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG22 ' CE ' ' A' ' 70' ' ' LYS . 32.7 m -104.82 1.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 21.4 t -128.07 132.38 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.64 142.7 42.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 25.2 mp0 -99.24 -11.6 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.07 -29.56 22.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -127.96 -40.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.24 30.61 8.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -99.64 148.31 24.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.419 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 27.0 t0 -62.49 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.6 mt -97.78 -34.22 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -119.99 76.16 22.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -11.17 30.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -76.14 -32.89 59.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 54.9 47.65 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.4 t -112.63 -9.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.95 -47.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -53.31 -23.17 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -76.75 118.02 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 t -47.98 -64.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.56 -167.14 20.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.5 Cg_endo -69.79 -27.26 26.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' PRO . 48.0 t -38.02 112.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.816 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.9 p -108.27 158.21 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.774 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.6 m -83.2 139.72 32.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 57.7 m -131.55 42.16 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -169.46 172.91 43.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 m -166.85 168.41 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.7 p -173.11 170.8 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 174.7 97.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmm -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -126.96 171.6 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 m -71.16 163.88 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.75 140.55 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 6' ' ' PRO . 30.3 ttp180 -61.97 139.26 95.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' THR . 53.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -41.33 92.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -134.17 166.17 23.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.2 tpp -76.23 85.47 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' ASN . 13.1 pt-20 -38.28 -48.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 3.0 t-20 -39.22 -48.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.85 155.95 81.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.685 0.755 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 53.8 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.83 174.64 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.21 142.8 56.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 62.55 26.61 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -87.48 135.8 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -101.67 127.82 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CE1' HG12 ' A' ' 35' ' ' ILE . 14.6 p90 -149.55 163.63 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.9 tt0 -101.89 124.48 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.59 159.11 23.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -103.43 142.11 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -68.6 125.17 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.12 -22.85 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 ttt -148.0 140.38 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 53.5 t -121.88 124.08 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 52.3 p -128.74 163.48 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 26.1 p90 -119.51 8.48 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.92 -170.16 25.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.23 151.05 43.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -93.45 128.99 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 23' ' ' VAL . 49.9 mm -114.6 125.26 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 68.6 mttt -83.12 124.27 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.492 HG12 ' CE1' ' A' ' 19' ' ' PHE . 49.2 mt -79.92 138.07 53.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.82 129.27 17.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.95 33.44 70.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -138.71 178.45 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -113.14 -53.15 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -75.12 153.98 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 53.9 mt-30 -115.26 164.86 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.93 153.33 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.88 136.08 45.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.32 115.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.69 142.37 23.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 47' ' ' THR . 12.4 ptt-85 -59.8 -31.54 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 14.0 t -77.87 -16.72 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' ND1' ' HD3' ' A' ' 88' ' ' LYS . 22.8 m-70 -92.9 -27.63 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.3 mtm -54.93 -41.01 70.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.68 145.4 51.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -64.59 -64.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.22 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -64.62 133.38 52.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -114.41 140.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.86 -30.18 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -132.27 83.32 55.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -21.56 33.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.27 . . . . 0.0 112.409 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 m -69.57 -9.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -106.88 -11.38 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.0 mt -84.57 -39.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.22 155.64 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.054 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -148.22 137.38 21.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.55 118.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.11 -21.42 9.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.42 135.72 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 17.3 ttpt -100.64 132.4 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -141.02 167.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 96.8 m95 -98.97 135.71 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG12 ' CG ' ' A' ' 87' ' ' MET . 10.8 m -136.72 161.28 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.427 ' CE ' HG22 ' A' ' 89' ' ' VAL . 11.6 ttpp -130.73 130.28 43.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tp -62.64 126.53 27.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.3 pt -110.93 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.46 119.3 0.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 13' ' ' PRO . 14.0 ptm180 -119.3 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.814 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -139.87 124.25 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -116.65 114.14 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -117.21 146.13 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.63 -13.98 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.87 -29.69 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -175.28 157.0 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.75 123.94 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -108.55 127.63 54.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.06 126.47 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -120.32 133.86 55.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mt -126.68 160.48 30.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 p -131.71 149.4 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.441 ' CG ' HG12 ' A' ' 69' ' ' VAL . 51.3 mtp -123.44 -15.06 7.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' HD3' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -71.94 -18.08 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.427 HG22 ' CE ' ' A' ' 70' ' ' LYS . 30.8 m -102.75 3.52 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.97 129.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -64.49 162.85 14.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -112.02 -29.74 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.75 -28.19 73.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 p -134.87 -39.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 18.16 19.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -81.28 145.3 30.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.01 137.87 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.89 -24.25 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -133.37 81.01 56.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.6 Cg_endo -69.78 -2.71 10.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.453 ' OD1' ' CG2' ' A' ' 103' ' ' VAL . 2.5 t-20 -80.44 -30.3 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER 48.41 40.37 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.453 ' CG2' ' OD1' ' A' ' 101' ' ' ASN . 62.2 t -108.93 -34.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.4 mp -53.72 -42.38 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.7 -25.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.66 92.7 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.8 m -95.88 -55.06 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.86 96.15 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.73 3.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.4 t -80.48 100.36 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.7 t -136.4 138.47 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.8 t -57.36 92.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 66.5 m -101.27 155.54 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -152.06 125.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.7 t -75.67 -51.18 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 26.6 t -89.74 -47.49 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -89.79 88.85 1.5 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt -89.39 101.83 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 57.94 45.69 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -141.11 116.13 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.47 98.26 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -137.8 140.73 30.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.57 60.46 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.616 2.211 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -110.23 76.31 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.4 p -134.59 -175.68 3.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.11 50.93 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 pt-20 -43.87 -38.74 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.1 m-20 -37.35 -48.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.17 153.28 71.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.8 Cg_endo -69.81 167.77 23.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.263 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.19 176.91 9.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.92 143.74 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.62 28.01 16.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -89.16 137.53 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.06 128.86 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 35' ' ' ILE . 18.4 p90 -151.48 159.78 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 16.7 tt0 -98.07 128.78 44.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.21 164.02 25.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.63 138.05 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.17 129.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.49 -22.06 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 5.2 ttt -147.6 138.52 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.02 123.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.3 p -126.25 160.76 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 2.13 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -125.58 10.12 7.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.39 -168.05 28.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.03 151.22 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 5.7 m-85 -95.29 126.19 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.32 118.65 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -77.44 130.7 37.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 19' ' ' PHE . 40.8 mt -88.18 137.64 31.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 0.0 111.138 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.8 128.16 15.6 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 35.08 61.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.5 m -139.14 176.97 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -116.63 -30.44 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.26 156.3 31.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.03 160.21 13.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.59 139.33 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.375 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 79.0 t -112.12 110.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.18 152.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 47' ' ' THR . 7.9 ptt-85 -60.57 -35.85 77.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 5.3 t -67.84 -24.15 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' CE1' HG23 ' A' ' 105' ' ' ILE . 37.5 m-70 -95.08 -19.58 20.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.7 mtp -59.88 -25.55 65.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -169.56 147.19 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -75.79 -51.39 12.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.17 177.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 18.9 ttm105 -60.75 101.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.86 97.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.1 -46.9 17.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -152.35 126.1 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -13.38 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.774 2.316 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.3 p -74.25 -25.32 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.33 -7.14 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.6 mt -85.12 -35.15 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -153.68 179.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.55 138.36 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.1 t -40.68 114.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.77 -23.6 6.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 137.05 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 34.1 ttpt -101.76 131.92 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.95 169.97 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -98.58 133.83 42.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.04 156.55 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -130.15 126.47 37.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 85' ' ' LEU . 11.4 tp -59.41 128.91 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 ' CG2' ' A' ' 105' ' ' ILE . 9.7 pt -110.38 -29.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.98 109.96 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 9.0 ptm180 -111.88 129.85 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -134.99 123.77 23.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt -118.32 113.94 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -116.72 144.38 44.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -13.75 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 15.0 m-20 -98.16 -31.5 12.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 28.0 mtp180 -167.18 157.14 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.68 127.0 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -123.75 128.96 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.98 129.1 69.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -112.89 131.28 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 71' ' ' LEU . 60.6 mt -125.01 151.5 45.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -121.3 151.27 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 91.8 mtp -126.06 -27.79 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.03 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.8 m -111.85 28.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -149.76 131.58 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.95 131.68 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -93.21 38.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -143.27 -43.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.1 p -118.98 -23.68 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.83 21.98 51.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -82.58 136.58 34.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.66 121.89 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.73 -28.38 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t70 -125.06 79.46 65.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.07 4.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.44 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 0.9 OUTLIER -90.87 -34.18 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.1 OUTLIER 47.55 51.5 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.0 -21.61 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.404 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.2 mp -61.75 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 48' ' ' HIS . 2.7 pp -54.85 -23.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -77.95 96.22 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.2 p -133.58 120.35 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.38 78.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 146.47 60.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.1 p -117.24 -42.53 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m 61.43 41.95 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.2 m -108.1 108.51 19.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.1 t -116.66 -47.73 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 130.85 174.87 13.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.2 m -81.55 119.74 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.794 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.2 t -63.36 150.97 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.81 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -82.09 164.49 44.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.3 mtp -54.21 120.49 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -77.57 156.0 31.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -115.87 85.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' ARG . . . -174.96 165.51 36.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' GLY . 12.3 ttt85 -33.91 97.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' GLY . 54.2 Cg_endo -69.78 130.08 18.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -78.34 104.37 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 p -81.89 135.56 35.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -65.38 166.72 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' MET . 42.2 mt-10 -34.68 142.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -83.37 49.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.49 152.53 92.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.7 Cg_endo -69.78 169.02 19.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.247 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 174.92 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.28 140.77 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 20.0 m-85 62.99 28.02 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.6 m -90.08 135.8 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -101.31 130.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 11.2 p90 -151.55 160.2 43.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 15.4 tt0 -96.39 127.07 42.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.12 161.44 25.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -108.31 141.06 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.47 133.35 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.96 -23.72 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.45 ' HE3' ' CG2' ' A' ' 27' ' ' THR . 18.1 ttt -145.43 140.52 27.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -124.58 125.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 31.5 p -129.78 162.11 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.05 0.02 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 39.7 p90 -119.42 1.02 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.26 -163.12 30.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.32 147.98 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -93.69 135.3 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -120.96 127.83 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 26.3 mtmt -81.22 128.28 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 HG12 ' CE1' ' A' ' 19' ' ' PHE . 61.3 mt -85.8 136.06 37.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' N ' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.74 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.15 11.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.426 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -156.39 174.86 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -111.27 -44.31 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -74.01 143.92 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 24.4 mt-30 -117.01 154.71 30.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 83' ' ' VAL . . . -104.0 160.81 15.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -111.56 134.77 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -107.06 108.5 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.64 149.35 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.02 -31.15 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -67.25 -31.86 72.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -90.63 -28.46 18.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.3 mtp -44.17 -33.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 t -154.19 160.87 42.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t -84.85 -50.14 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.03 178.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 13.8 ttm105 -60.01 108.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.6 t -88.72 110.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -111.46 -35.56 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -133.37 88.95 33.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -20.64 34.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -73.09 -12.12 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -102.56 -6.15 23.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.42 -39.7 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.05 167.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.19 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.09 139.61 20.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.0 116.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.66 -18.86 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -86.56 136.9 32.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 25.0 ttpt -100.11 131.91 45.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.1 m -141.04 170.09 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.555 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -100.23 129.9 46.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 24.3 m -128.59 161.92 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -134.18 125.83 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 85' ' ' LEU . 14.8 tp -58.93 129.84 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -113.11 -24.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 113.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -117.77 130.75 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -141.46 124.02 15.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.61 114.04 24.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.03 143.83 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -60.14 -13.86 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.32 -27.49 13.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 2.6 ptm85 -175.1 153.06 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.59 129.18 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.52 124.14 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG2' ' HA2' ' A' ' 42' ' ' GLY . 1.5 m -131.25 133.17 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -126.34 141.25 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' HD12 ' A' ' 71' ' ' LEU . 20.3 mt -129.22 162.79 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 t -126.12 146.78 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.443 ' CG ' HG13 ' A' ' 69' ' ' VAL . 80.8 mtp -121.44 -21.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -78.58 -12.88 60.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -104.8 13.09 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -138.08 129.49 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -61.35 133.28 55.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -98.57 50.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.61 -35.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.8 p -125.16 -21.2 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.31 28.23 41.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -90.51 137.41 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 130.24 45.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -106.18 -5.33 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -131.36 81.15 66.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.893 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.42 3.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 25.0 p-10 -112.47 -30.75 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.481 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER 49.62 52.61 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.453 HG11 ' ND2' ' A' ' 101' ' ' ASN . 10.6 p -119.66 -21.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.8 mp -52.28 -45.53 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.15 -19.12 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -66.98 120.83 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.6 m -98.17 177.33 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.77 83.69 1.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 85.92 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.8 t -104.93 136.67 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -69.75 148.13 49.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' -4' ' ' SER . 67.2 m -108.73 -48.51 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' -5' ' ' SER . 59.7 p 35.29 42.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -103.68 -172.87 25.72 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.2 t -52.18 148.58 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -62.0 128.77 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 152.79 -62.23 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt -69.43 108.92 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -53.11 125.95 19.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -48.34 159.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.57 -123.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -126.77 85.71 60.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 152.15 68.75 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.651 2.234 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.59 72.32 7.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -118.59 127.04 53.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -55.87 88.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -38.69 -40.95 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -48.83 -54.01 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.53 145.8 99.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.31 -176.16 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.34 144.61 49.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 60.76 29.09 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.9 m -90.61 133.99 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -102.14 127.41 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -149.53 161.36 42.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 12.8 tt0 -96.07 130.09 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 163.43 25.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -113.38 142.48 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 24' ' ' ALA . 40.5 t -66.79 134.24 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 23' ' ' VAL . . . -122.43 -20.81 5.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.9 ttt -146.95 140.34 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.54 124.02 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.7 p -126.07 157.9 36.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -5.61 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -116.31 6.47 13.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.25 -166.35 28.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.62 151.53 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' CE1' HD11 ' A' ' 43' ' ' LEU . 53.4 m-85 -96.83 134.96 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.2 mm -116.42 131.43 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -85.71 127.28 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -82.18 134.07 49.76 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 0.0 111.196 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.35 25.35 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.2 28.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.28 175.31 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.31 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -112.36 -38.46 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.0 145.36 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -114.67 154.8 27.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.36 148.13 18.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 32' ' ' PHE . 12.0 tp -97.14 140.74 31.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 47.0 t -115.7 116.38 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -53.44 144.09 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.03 -32.46 69.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.5 t -77.99 -16.46 58.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -93.53 -17.26 23.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.401 ' CE ' ' CB ' ' A' ' 57' ' ' PRO . 26.4 mtm -69.36 -34.33 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -146.3 144.55 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 p -79.23 -47.69 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.16 -177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 53' ' ' ARG . 5.7 tmm_? -59.88 132.78 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 60' ' ' ILE . 16.3 t -119.04 119.71 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.51 -44.3 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -147.85 121.95 4.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.571 0.701 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' CB ' ' CE ' ' A' ' 49' ' ' MET . 53.6 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -75.53 -17.91 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -103.76 5.99 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 ' CD1' HG13 ' A' ' 54' ' ' VAL . 15.6 mt -105.76 -36.46 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.44 162.37 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -154.44 141.64 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -49.89 121.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.33 -27.73 7.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.98 126.91 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -94.59 131.96 39.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.4 m -141.13 170.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.4 m95 -99.01 133.2 43.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.3 155.51 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -129.66 126.56 38.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CG1' ' A' ' 83' ' ' VAL . 6.1 tp -61.12 130.13 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.0 pt -117.2 -19.67 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.47 115.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -117.35 123.12 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.811 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -132.44 123.72 27.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 ptm -118.26 119.12 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 6.1 tmtm? -115.18 149.68 37.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.464 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 54.7 m-20 -59.85 -14.01 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -98.24 -28.69 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 82' ' ' LYS . 19.9 ptt180 -175.17 156.58 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.89 128.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mtpm? -128.3 129.18 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' HD12 ' A' ' 71' ' ' LEU . 21.5 t -116.0 132.46 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -103.64 130.2 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 49.1 mt -126.43 155.72 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -130.22 145.05 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.1 mtp -120.79 -21.71 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -72.99 -9.98 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.12 11.71 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.17 142.17 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -76.98 125.39 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.07 45.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.53 -35.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.6 p -124.32 -26.21 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.44 31.23 31.19 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -96.35 133.77 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.85 123.12 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -92.87 -30.35 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.45 79.93 60.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.18 9.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -87.6 -27.81 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.78 42.51 31.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -26.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.85 -46.3 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.2 pp -51.84 -25.31 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -65.76 -61.0 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m -124.24 116.87 23.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.17 147.0 3.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -2.14 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.8 p -55.29 112.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.3 t -125.48 111.02 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 44.5 p -108.45 120.9 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.388 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.6 t -124.71 140.75 52.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -177.28 65.43 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 m -85.73 162.36 18.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.1 m -38.84 135.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -146.17 70.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttm -90.78 95.57 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -109.33 146.3 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -133.54 138.89 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.09 79.73 1.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -88.0 145.6 36.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.0 58.61 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -61.49 106.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 t -138.78 154.84 48.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.7 113.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.13 -41.19 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -38.12 -62.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 35' ' ' ILE . 32.6 mt -45.04 156.86 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.707 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.12 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.01 179.6 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.9 149.4 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 43.8 m-85 54.88 25.07 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -84.4 133.98 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -101.41 128.52 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 10.9 p90 -149.28 164.2 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.509 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 11.1 tt0 -97.01 127.13 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.16 163.87 25.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -111.71 146.44 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.46 125.43 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.2 -20.73 11.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 ttt -146.59 135.12 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.55 123.95 72.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -128.2 160.93 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -7.35 40.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -114.36 10.9 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.45 -166.59 26.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.97 151.84 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -94.45 132.14 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 mm -114.0 131.32 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -85.82 127.41 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' CD2' ' A' ' 12' ' ' LEU . 64.3 mt -86.82 130.15 49.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.85 7.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.614 2.209 . . . . 0.0 112.377 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.21 27.69 24.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.8 m -145.47 176.54 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -114.93 -24.99 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -93.08 151.74 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -121.25 149.69 42.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 83' ' ' VAL . . . -104.61 157.3 16.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.63 140.77 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.5 t -112.4 111.3 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -54.06 149.14 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.05 -33.78 72.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -71.01 -22.38 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.1 -10.67 32.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.0 mtp -68.16 -36.75 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -151.96 146.11 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -73.06 -44.89 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m -61.63 -177.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -63.52 100.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.3 t -82.6 114.93 24.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -112.88 -48.96 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -124.15 97.66 40.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -12.73 33.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -80.61 -19.52 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -93.47 -3.07 53.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mt -93.33 -36.11 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.4 171.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.96 148.21 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.32 113.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.11 -25.35 5.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.47 136.1 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 22.5 ttpt -101.77 131.83 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.8 m -141.13 170.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.0 m95 -97.98 132.67 43.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.594 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 34.0 m -128.86 163.63 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.4 ttmt -136.77 126.34 25.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 74' ' ' ARG . 12.7 tp -62.67 133.64 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.0 pt -118.4 -23.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.38 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 17.3 ptt-85 -118.21 129.98 55.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.297 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -144.76 123.95 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.46 114.16 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -116.3 148.8 40.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -13.88 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -94.22 -32.4 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CZ ' ' HE2' ' A' ' 82' ' ' LYS . 17.3 ptm180 -175.76 157.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.81 118.45 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HE2' ' CZ ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -104.54 124.87 50.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.473 ' CG2' ' HA2' ' A' ' 42' ' ' GLY . 1.3 m -134.12 133.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -125.47 134.76 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.1 mt -125.06 161.25 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.415 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 8.1 t -135.12 142.68 46.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 53.6 mtp -112.78 -29.72 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -61.98 -19.36 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 ' CG2' ' HE3' ' A' ' 70' ' ' LYS . 4.1 m -102.62 21.32 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 16.8 t -148.18 134.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.9 124.51 24.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -86.24 51.11 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.93 -34.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -125.12 -31.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.04 28.59 17.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.14 134.56 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -56.34 116.53 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.97 -35.33 17.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -113.96 76.46 3.32 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.648 0.737 . . . . 0.0 110.941 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -19.41 36.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.44 -42.22 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 8.9 m-80 67.31 42.86 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.43 ' CG1' HD13 ' A' ' 104' ' ' ILE . 15.0 p -106.72 -17.55 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.43 HD13 ' CG1' ' A' ' 103' ' ' VAL . 4.3 mp -79.18 -53.9 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 105' ' ' ILE . 2.0 pp -49.85 -25.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.96 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -40.47 135.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 170.85 68.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.276 . . . . 0.0 112.359 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -40.26 118.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -82.2 158.02 23.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 65.7 p -81.99 117.16 21.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.0 t -156.98 142.94 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -122.45 -70.55 0.25 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.2 m 52.45 42.44 31.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 53.4 p -88.84 133.53 34.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -124.08 130.82 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt -64.02 158.19 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -92.58 177.15 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -163.57 171.03 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.24 119.19 1.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -134.19 136.81 26.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.22 2.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.04 88.95 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 p -110.17 164.59 12.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.27 41.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -88.71 54.44 3.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -65.44 -28.21 69.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.86 157.28 30.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.639 0.733 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.72 175.94 7.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 172.39 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.97 145.2 56.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 23.3 m-85 58.72 26.97 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 m -89.88 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.97 132.8 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -154.49 164.68 38.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.557 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 8.5 tt0 -100.47 123.47 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.09 162.46 23.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -108.61 138.8 44.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.65 126.11 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.36 -21.86 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.508 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.7 ttt -147.61 139.75 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.06 123.98 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p -128.74 160.79 31.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -6.56 40.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -117.36 11.72 14.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.93 -168.96 27.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.08 148.66 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 14.4 m-85 -93.33 134.65 35.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.5 mm -121.25 131.76 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 44.5 mttt -84.8 130.09 34.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.533 HG12 ' CE1' ' A' ' 19' ' ' PHE . 55.9 mt -89.77 137.47 28.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.724 . . . . 0.0 111.188 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.1 Cg_endo -69.78 123.35 10.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.94 36.37 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 96.2 m -146.25 170.19 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -109.12 -37.21 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -88.76 152.04 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 23.1 mt-30 -115.51 164.47 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.0 150.76 18.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.56 134.81 41.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -105.93 110.93 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.27 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -59.21 -32.09 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 13.4 t -64.89 -32.03 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.56 -12.89 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.1 mtp -64.13 -24.65 67.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 t -162.85 147.72 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -68.16 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 96.6 m -47.16 171.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.7 99.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.18 119.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -46.4 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -140.68 104.92 6.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -19.53 36.3 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 t -72.55 -10.21 59.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -106.34 1.19 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mt -90.89 -36.56 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.44 177.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -154.79 138.71 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -38.83 122.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -22.81 19.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.15 130.77 35.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.3 ttmt -94.66 131.96 39.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.06 170.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.557 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 99.2 m95 -99.68 132.51 44.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 87' ' ' MET . 19.6 m -134.85 158.28 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -128.69 131.05 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 85' ' ' LEU . 5.9 tp -64.23 128.71 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 pt -110.17 -30.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.36 114.18 0.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 8.9 ptt85 -116.91 129.97 56.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.02 123.81 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.4 mtp -118.03 113.96 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -116.52 143.91 45.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -59.36 -13.8 9.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 32.7 t70 -97.99 -30.06 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 24.5 mtt180 -168.64 157.15 8.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.3 mt -116.94 129.02 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -122.29 129.08 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.07 128.45 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -121.27 132.74 54.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 71' ' ' LEU . 10.5 mt -124.58 160.73 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -126.57 151.04 48.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.457 ' CG ' HG12 ' A' ' 69' ' ' VAL . 71.1 mtp -124.94 -24.84 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -72.89 -19.57 61.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -96.91 5.5 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.66 144.94 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -77.63 151.67 34.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -105.03 -12.63 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.51 -47.39 4.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -117.38 -24.12 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.53 56.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -72.63 160.48 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -78.17 127.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.0 mt -95.86 -28.77 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.56 77.47 75.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.389 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.56 -40.09 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 1.4 m-80 65.44 51.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -118.73 -13.67 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.39 -37.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.46 HD13 ' N ' ' A' ' 106' ' ' GLU . 2.3 pp -53.25 -21.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.46 ' N ' HD13 ' A' ' 105' ' ' ILE . 7.9 pt-20 -102.63 89.74 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.4 m -101.21 128.17 47.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -92.8 -176.1 41.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.05 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.7 t 49.41 42.95 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.1 p -57.84 158.73 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.3 p -73.48 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.903 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' -3' ' ' GLY . 8.0 t -140.54 165.27 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.83 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' -4' ' ' SER . . . -37.47 145.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.0 m -122.17 166.4 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.4 p -90.32 175.77 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -105.02 90.14 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm -93.5 83.57 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -134.99 144.03 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -66.24 165.07 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 97.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -96.45 157.05 36.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 166.21 28.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -129.19 114.87 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.2 p -109.92 -50.67 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.0 171.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -88.23 20.53 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt -43.73 152.63 0.43 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.91 173.77 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.91 141.99 58.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 62.89 25.32 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -90.51 135.23 33.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -101.34 126.69 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CE1' HG12 ' A' ' 35' ' ' ILE . 11.6 p90 -143.01 162.94 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.571 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 20.9 tt0 -100.58 121.97 42.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.53 163.94 24.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -109.74 137.45 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 24' ' ' ALA . 54.9 t -63.48 133.24 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -118.64 -20.71 8.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 8.7 ttt -148.05 139.71 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.18 124.0 71.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.9 p -123.3 159.47 28.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.52 0.85 9.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -128.39 11.64 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.04 -167.46 31.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.72 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.2 m-85 -93.44 136.89 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mm -121.67 129.36 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -82.5 129.86 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 HG12 ' CE1' ' A' ' 19' ' ' PHE . 53.0 mt -87.46 138.02 32.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.777 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 54.1 Cg_endo -69.71 112.91 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.1 43.91 7.32 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.9 m -150.73 177.9 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -116.72 -35.77 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' CE ' ' HB ' ' A' ' 81' ' ' ILE . 9.0 tptp -88.34 144.64 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -108.4 161.19 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.75 142.24 17.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 tp -93.59 137.65 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.3 t -109.72 105.79 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.403 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 13.4 t-160 -51.86 146.04 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -60.5 -32.16 71.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 ' CG2' ' ND1' ' A' ' 45' ' ' HIS . 15.2 t -67.61 -22.95 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -94.97 -23.96 17.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 57' ' ' PRO . 23.8 mtp -50.37 -53.01 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -132.42 145.29 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -67.1 -58.12 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.4 m -59.59 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -60.37 146.55 43.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.17 137.02 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.36 -40.92 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -145.9 105.02 4.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 54.2 Cg_endo -69.77 -15.69 37.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -74.81 -12.24 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -102.81 -5.19 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.3 mt -85.14 -41.05 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.53 171.4 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.3 144.1 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.32 116.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.19 -22.51 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -84.1 128.72 34.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 21.4 ttpt -97.35 134.25 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.99 169.36 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.4 m95 -99.45 133.11 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG12 ' CG ' ' A' ' 87' ' ' MET . 12.6 m -139.17 157.84 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' CD ' HG23 ' A' ' 89' ' ' VAL . 9.9 pttp -126.8 137.89 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.6 tp -66.31 130.85 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 pt -111.78 -23.43 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.28 112.94 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -109.43 122.95 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -131.74 123.87 28.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' MET . 3.3 ppp? -117.97 121.48 40.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -117.24 148.55 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -13.78 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -100.33 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -175.79 154.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' HB ' ' CE ' ' A' ' 40' ' ' LYS . 60.9 mt -119.05 122.27 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -115.56 129.08 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.8 t -121.29 128.39 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -106.73 130.27 54.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 mt -125.64 159.93 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -128.3 154.0 46.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.464 ' CG ' HG12 ' A' ' 69' ' ' VAL . 75.5 mtp -124.75 -35.51 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -62.12 -11.29 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG23 ' CD ' ' A' ' 70' ' ' LYS . 28.9 m -108.88 20.5 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 98' ' ' LEU . 11.0 t -146.13 141.9 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.154 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -76.93 129.8 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -89.26 38.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.74 -36.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 p -122.74 -21.6 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.153 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.72 21.93 60.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -84.12 137.15 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.02 127.85 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 90' ' ' VAL . 32.7 mt -96.14 -15.99 21.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 16.9 p-10 -129.08 78.9 75.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.846 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 1.16 4.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 1.0 OUTLIER -99.6 -37.17 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.72 47.49 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.83 -12.16 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.02 -46.31 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.35 -19.65 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -81.36 98.29 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.0 p -59.0 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 98.27 -159.37 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.534 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.5 Cg_endo -69.79 -0.95 7.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 109' ' ' PRO . 27.9 m -35.44 -55.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.8 p -46.84 151.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.5 m 40.84 42.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.894 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.5 p -143.86 139.61 29.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -128.22 44.94 1.18 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.55 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.2 p -58.2 174.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.8 m -107.04 148.98 28.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 145.09 -109.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -42.69 -63.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.697 0.284 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -43.69 140.92 1.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 46.39 37.46 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.57 24.72 7.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.38 155.38 27.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 167.13 25.41 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.87 101.83 13.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.03 -14.81 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.83 40.14 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -43.03 -29.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -45.27 -54.9 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.99 146.69 97.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 -173.89 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.93 -178.42 4.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.9 tp -69.23 147.84 50.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 57.73 25.61 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -89.46 143.71 26.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 97' ' ' ASP . 91.7 mt -109.78 135.86 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.1 p90 -156.56 163.39 39.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.425 ' CD ' ' HE2' ' A' ' 66' ' ' LYS . 31.3 tt0 -95.08 127.83 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.5 157.63 23.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -107.65 140.11 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.62 128.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.73 -24.46 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttt -143.03 139.37 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -120.54 124.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -123.14 159.66 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.39 0.28 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -127.54 11.36 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.1 -164.44 29.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.84 150.04 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -93.39 134.45 35.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mm -115.62 129.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -85.04 126.46 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.6 mt -85.95 133.67 40.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 118.74 5.86 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.82 36.47 11.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.1 m -147.44 177.14 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -115.07 -33.44 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -90.61 155.63 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -123.13 155.15 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.05 160.4 13.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -108.89 138.67 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 58.5 t -112.89 115.87 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.43 143.04 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' THR . 7.9 ppt_? -58.89 -31.27 68.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 46' ' ' ARG . 6.8 t -77.99 -14.07 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -96.79 -19.06 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mtm -68.74 -36.69 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 t -144.75 140.34 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -80.2 -51.46 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -48.12 176.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -59.89 98.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.83 125.96 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -108.03 -47.44 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -142.57 113.64 6.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -16.89 37.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -77.03 -11.72 59.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.13 0.35 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.47 -32.03 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.88 152.83 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.98 143.31 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.29 115.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.21 -21.67 7.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.62 127.81 34.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HE2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.51 133.76 39.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.2 m -141.23 164.46 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.13 129.87 37.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.74 155.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -130.87 126.96 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.56 128.81 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.5 pt -111.66 -24.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.24 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 9.0 ptt85 -121.58 123.13 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -130.39 124.01 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 mtp -113.45 113.97 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -116.81 145.61 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.74 -13.88 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 -31.66 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -175.38 157.04 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.3 124.61 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -107.52 128.88 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.63 120.06 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 129.31 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.426 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 19.5 mt -122.8 161.36 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -134.44 144.97 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 75.3 mtp -117.44 -24.24 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' CE ' HG21 ' A' ' 104' ' ' ILE . 9.7 pttp -66.84 -13.99 62.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.3 m -108.9 17.35 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 t -141.78 138.05 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.65 128.98 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -91.92 52.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.56 -36.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -123.22 -26.92 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.92 29.78 22.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.426 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -94.17 134.68 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.414 ' CG ' HD11 ' A' ' 18' ' ' ILE . 20.0 t0 -59.53 123.18 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.72 -33.99 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -112.34 75.69 1.76 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -10.89 29.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.24 -37.53 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 59.57 48.33 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -105.6 -28.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.427 HG21 ' CE ' ' A' ' 88' ' ' LYS . 4.7 mp -70.43 -48.98 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 106' ' ' GLU . 2.4 pp -51.69 -25.74 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' N ' HD11 ' A' ' 105' ' ' ILE . 3.8 tm-20 -83.1 50.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 98.7 p -120.3 128.56 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.89 -80.63 0.34 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.226 . . . . 0.0 112.389 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.5 m -131.81 -48.42 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -98.85 112.36 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 87.4 p 40.48 42.59 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.9 p -124.83 156.73 37.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -145.22 -100.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m 56.49 41.71 28.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 47.5 t -131.23 112.74 13.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.09 144.37 3.91 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.63 176.42 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.661 0.267 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -149.3 133.07 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -129.59 108.14 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.83 164.67 10.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.56 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 149.74 97.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 140.52 42.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.47 129.25 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' MET . 50.0 p -123.11 111.85 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' THR . 13.5 mmm -34.95 -59.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -93.96 -177.48 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -105.35 39.83 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 mt -55.19 155.86 8.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.673 0.749 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.89 13.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.5 178.05 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.33 152.83 45.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 51.56 27.05 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -89.42 140.06 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -107.64 131.55 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CE1' HG23 ' A' ' 69' ' ' VAL . 12.5 p90 -149.56 165.11 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.0 tt0 -101.48 122.45 43.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.97 162.89 24.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.93 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.3 t -66.33 126.23 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.18 -23.63 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttt -147.04 138.84 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.2 t -121.33 124.03 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -128.09 156.79 42.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.57 -6.09 28.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -118.39 8.81 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.35 -172.64 30.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.51 148.01 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -97.67 132.87 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.4 mm -116.0 144.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -90.44 131.51 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.6 mt -90.36 131.42 38.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.632 0.73 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.19 9.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.77 60.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.05 168.62 19.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.33 -43.49 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -69.99 156.44 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -121.01 165.16 15.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.85 147.7 17.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.74 141.59 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 95.3 t -116.48 105.96 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -49.34 149.15 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -59.14 -31.35 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -74.98 -20.06 59.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -95.92 -22.2 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.9 mtp -52.62 -51.73 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -131.01 152.18 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.6 t -70.38 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 m -55.91 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.54 125.49 24.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -96.0 130.83 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -113.37 -52.5 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -136.76 112.41 9.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.81 27.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -71.11 -7.94 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.54 -1.35 24.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -93.94 -48.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.29 173.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.45 139.41 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.4 t -38.24 117.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -20.67 10.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.12 127.99 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 4.2 ttpm? -93.9 132.0 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.01 169.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.0 m95 -98.22 132.8 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.504 HG23 ' CE1' ' A' ' 19' ' ' PHE . 17.8 m -131.75 163.07 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 99' ' ' ASP . 15.9 ttpt -135.3 133.49 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 74' ' ' ARG . 12.3 tp -68.76 129.78 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.49 -24.81 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.2 110.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 11.1 ptm180 -106.37 127.08 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -137.6 123.95 20.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -117.06 115.13 24.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -115.59 143.89 44.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -59.86 -13.98 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.05 -29.08 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 2.0 ptm85 -175.19 157.03 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.8 mt -109.28 132.44 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 123.18 40.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -121.18 132.48 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.22 126.39 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 31.8 mt -125.72 153.96 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -131.53 153.81 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 50.5 mtp -122.12 -29.72 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -67.79 -8.03 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.13 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.8 t -146.51 135.1 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.3 125.81 26.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -88.99 44.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.34 -36.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.2 p -116.32 -32.65 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.17 26.1 24.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -95.18 135.36 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -57.05 128.66 38.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.8 -21.57 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 14.2 p-10 -120.03 76.49 22.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.28 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -105.94 -31.98 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 60.87 52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -106.07 -23.25 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.74 -55.52 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.7 pp -46.62 -26.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.75 84.66 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.5 p -114.25 132.84 56.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.64 83.97 0.35 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 133.11 24.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.745 2.297 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 92.0 p -108.81 164.47 12.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 m -53.36 178.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 27.1 m -75.72 -61.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 69.5 m -80.08 85.54 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -71.06 153.22 50.96 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.39 95.73 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.5 m -76.62 -45.81 28.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 82.62 97.96 0.5 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -144.07 143.59 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -143.08 175.68 9.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -149.99 129.4 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.69 -106.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -173.14 135.79 0.71 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 165.6 30.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.214 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.51 64.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.6 p -61.31 146.66 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.8 ptm -90.82 -31.02 16.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' LEU . 17.4 tp10 -122.93 157.42 32.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 90.0 m-20 -38.49 -26.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' GLU . 68.5 mt -40.4 150.02 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.732 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -169.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.16 179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.49 149.13 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 50.7 24.94 1.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -85.2 139.64 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -105.54 131.22 55.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -150.23 167.98 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 17.6 tt0 -106.74 126.11 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.39 161.03 25.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.43 143.33 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 24' ' ' ALA . 37.4 t -65.81 133.68 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 16.2 ttt -145.58 139.36 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -121.41 124.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -131.01 155.16 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.5 -6.52 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.2 6.36 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.44 -170.43 29.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.18 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.4 m-85 -97.35 136.74 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 mm -120.87 131.7 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE3' ' NE2' ' A' ' 41' ' ' GLN . 29.5 mtpt -82.74 134.07 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.422 HD11 ' CD2' ' A' ' 12' ' ' LEU . 45.2 mt -91.83 136.29 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 111.194 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.72 147.46 63.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.14 13.44 20.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.4 m -130.49 179.34 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -116.59 -48.97 2.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -65.98 152.78 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 52.1 mt-30 -118.49 156.11 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.71 143.64 17.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tp -97.24 139.28 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 48.0 t -112.14 116.21 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -57.26 147.47 25.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.99 -35.31 73.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -70.62 -21.66 62.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -91.08 -15.66 29.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.2 mtp -66.74 -46.89 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 m -106.4 172.0 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -62.91 -68.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.64 -69.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -79.77 133.25 36.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.13 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -62.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -148.8 121.46 4.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -24.02 29.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.4 p -75.52 -4.18 38.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -110.4 -9.96 14.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -89.49 -38.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.19 163.16 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.63 140.2 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.34 120.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.21 -16.13 27.49 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.1 131.04 34.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 31.2 ttmt -98.57 131.96 44.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG2' ' HE2' ' A' ' 87' ' ' MET . 35.8 m -141.02 169.1 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.3 m95 -97.26 132.18 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.35 161.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -135.91 126.68 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 74' ' ' ARG . 15.9 tp -60.87 130.33 45.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG23 ' CG2' ' A' ' 105' ' ' ILE . 9.4 pt -109.57 -30.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 139.82 6.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 44.1 mtp180 -112.89 123.77 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -135.19 123.79 23.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.8 138.63 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -118.04 150.38 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -59.08 -13.66 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.02 -29.21 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -176.15 157.06 1.76 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 82' ' ' LYS . 12.5 mt -96.67 134.28 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -122.02 129.04 52.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.73 130.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -97.19 129.78 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.426 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 72.4 mt -125.81 153.28 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.441 ' CB ' HG21 ' A' ' 89' ' ' VAL . 33.4 m -122.21 153.73 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.447 ' HE2' ' CG2' ' A' ' 67' ' ' VAL . 91.1 mtp -126.22 -27.69 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -77.27 -7.17 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.441 HG21 ' CB ' ' A' ' 86' ' ' SER . 29.7 m -109.18 19.76 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.16 143.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -76.26 123.53 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -86.54 38.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.53 -34.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.6 p -125.74 -26.82 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.97 28.69 27.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.2 137.03 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.725 0.297 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 23.5 t0 -57.66 120.71 8.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.22 -13.9 27.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 16.4 p-10 -127.89 75.99 77.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.817 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.52 -35.56 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 58.48 52.9 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 -17.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -82.9 -48.86 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.42 ' CG2' HG23 ' A' ' 72' ' ' ILE . 2.2 pp -49.55 -26.53 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 107' ' ' SER . 35.6 tt0 -75.39 -51.0 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLU . 3.1 t 34.76 48.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 43.46 -156.54 0.15 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.554 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 150.46 68.44 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 t -70.86 -54.93 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -50.43 101.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.451 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' -4' ' ' SER . 1.1 t -131.62 174.74 9.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.385 . . . . 0.0 110.809 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' -5' ' ' SER . 60.5 p 37.33 41.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -78.79 -161.87 20.95 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.429 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.4 m -92.03 160.81 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.791 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.9 m -97.92 125.47 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 1' ' ' MET . . . -109.55 -143.54 10.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 0' ' ' GLY . 4.0 ptt? 35.7 49.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -63.67 119.83 10.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -174.24 166.44 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' C ' ' HD3' ' A' ' 5' ' ' ARG . . . 82.35 117.42 0.51 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.535 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.53 HH11 ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -121.62 137.95 27.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 177.05 6.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.4 60.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 p -124.21 179.36 4.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.39 88.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' THR . 35.3 tt0 -61.92 -33.67 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -52.96 -56.89 12.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -78.91 156.47 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.1 Cg_endo -69.75 -178.84 2.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.24 173.55 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 24.2 tp -62.86 148.16 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 52.46 26.56 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -90.67 137.99 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.14 136.78 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.8 p90 -155.94 170.32 22.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 14.9 tt0 -107.21 125.89 51.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.54 164.02 24.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -110.78 134.31 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.1 128.04 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.86 11.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.499 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 24.5 ttt -147.88 140.86 24.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 61.1 t -123.98 124.46 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 p -127.77 161.94 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -72.88 -1.44 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -121.29 7.59 10.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.67 -166.06 29.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.5 148.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 13.9 m-85 -93.95 136.41 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.9 mm -123.09 136.13 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HE2' ' CD ' ' A' ' 41' ' ' GLN . 74.3 mttt -94.49 121.07 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 19' ' ' PHE . 57.8 mt -82.25 137.88 45.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.634 0.73 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.7 120.13 6.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.83 41.65 22.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.42 -175.5 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -119.8 -32.89 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -116.41 160.7 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' CD ' ' HE2' ' A' ' 34' ' ' LYS . 17.4 mt-30 -107.61 156.02 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.96 158.14 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.55 141.47 43.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 66.4 t -114.87 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.73 150.78 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.68 -31.86 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.8 p -63.38 -34.4 77.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -88.0 -11.44 47.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.57 -23.8 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -133.49 167.59 20.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -58.92 -67.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.4 m -133.39 -69.46 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 128.98 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 t -121.61 95.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.58 -41.71 60.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.66 105.0 1.06 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.8 Cg_endo -69.71 -13.84 35.39 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.467 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 27.3 m -78.85 -24.58 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.2 -6.34 53.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 49.9 mt -83.36 -35.29 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.52 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.81 135.5 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -39.15 122.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.53 -17.52 25.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.67 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 6.6 ttpm? -89.6 132.04 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.06 169.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.0 m95 -103.65 130.5 51.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.693 ' CG2' ' CE1' ' A' ' 19' ' ' PHE . 28.6 m -129.7 157.09 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -130.44 126.2 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 15' ' ' LEU . 17.7 tp -59.29 138.15 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 86' ' ' SER . 6.7 pt -117.28 -32.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.24 137.04 4.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 72.2 mtp180 -109.42 123.05 48.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.09 124.3 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 113.89 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -103.63 148.98 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.34 -13.86 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -97.74 -30.68 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -176.25 156.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.8 121.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.53 129.27 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.88 118.57 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.9 m -97.02 127.2 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 23.9 mt -124.02 159.68 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 16.5 t -127.67 145.32 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 86.7 mtp -123.89 -31.38 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -65.24 -11.28 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' C ' HG21 ' A' ' 90' ' ' VAL . 15.5 m -111.57 24.93 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 86.8 t -153.32 127.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -59.01 157.78 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 70.9 mm-40 -109.75 -21.39 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.63 -23.0 48.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -129.43 -29.9 2.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.44 ' HA3' ' CD2' ' A' ' 68' ' ' TRP . . . 81.83 23.85 56.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -87.47 159.03 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.99 130.96 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.68 -21.85 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -132.99 75.93 71.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.89 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.16 17.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.665 2.244 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 68.8 m-80 -78.34 -47.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 101' ' ' ASN . 1.9 m-80 73.29 42.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -107.08 -17.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.0 mp -76.67 -61.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 pp -45.0 -28.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.21 -54.3 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.3 p -90.9 157.39 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.17 -178.8 18.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 141.93 46.52 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.667 2.244 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 t -115.92 110.84 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -63.31 168.82 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 61.9 p -42.77 124.22 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 21.5 t -98.54 105.05 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -43.22 118.58 2.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 46.1 m -104.18 173.84 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 44.4 p -116.36 161.72 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 142.52 64.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.5 mtm -126.54 162.08 26.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -143.75 149.91 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -146.69 142.4 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 132.75 1.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -90.11 138.63 27.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.412 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -90.23 128.29 36.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -110.33 -41.75 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -38.63 -58.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.35 92.18 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -89.29 15.22 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 32.1 mt -52.38 153.71 4.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.563 0.696 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.81 174.94 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 tp -66.04 145.66 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 60.63 26.0 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.9 m -90.28 139.18 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -105.68 130.49 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -151.29 162.74 40.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.576 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 18.5 tt0 -100.15 128.6 46.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.6 157.15 23.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.545 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.24 145.54 27.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -72.63 125.26 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.72 -24.86 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -148.09 138.16 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.03 123.97 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.7 p -126.19 160.36 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.52 1.65 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -124.94 5.51 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.38 32.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.91 146.94 31.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.34 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.14 134.23 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.3 mm -120.46 128.5 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -82.78 123.6 29.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.53 HG12 ' CE1' ' A' ' 19' ' ' PHE . 58.8 mt -82.95 130.65 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.94 41.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.17 -17.98 8.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 12' ' ' LEU . 1.9 t -115.68 168.67 9.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 mtm105 -103.94 -36.01 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -66.48 142.81 57.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -113.11 164.26 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.41 151.13 17.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.6 tp -103.17 134.57 46.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -104.09 111.45 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.16 147.79 15.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.31 -33.25 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -68.23 -32.8 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -85.09 -19.92 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 mtp -62.08 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -126.06 164.26 21.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 m -49.91 -69.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -134.58 -66.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -67.7 127.42 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.07 82.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -70.83 -54.24 12.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -149.13 104.93 3.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.05 37.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.3 t -82.47 -9.85 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -99.39 -14.72 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -78.94 -30.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.6 m -143.48 175.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -161.68 141.28 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.87 120.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.48 -23.83 11.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -82.33 128.26 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HE2' ' CG ' ' A' ' 20' ' ' GLN . 26.8 tttt -94.45 133.11 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.3 m -141.18 170.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 93.9 m95 -101.22 133.27 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.9 m -131.82 159.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -127.52 134.76 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 85' ' ' LEU . 10.1 tp -68.84 133.74 48.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -118.4 -24.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.49 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -119.76 125.56 48.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -142.28 123.94 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -116.92 114.12 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -116.7 146.46 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.47 -13.93 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.35 -31.94 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -175.61 157.07 2.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.2 mt -112.25 132.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -120.64 128.93 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.89 127.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -117.04 128.45 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 71' ' ' LEU . 59.2 mt -122.83 158.65 29.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -131.22 148.23 52.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 58.9 mtp -120.9 -27.97 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -63.69 -26.03 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.7 m -96.97 11.26 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.6 142.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.04 130.24 34.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -88.81 51.06 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.7 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.1 p -120.38 -22.4 6.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 29.35 50.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.23 144.57 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 109.19 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.85 -37.4 55.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -117.82 75.81 10.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.68 -11.28 30.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -70.99 -34.37 71.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 4.8 m-80 56.16 38.46 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.87 -21.73 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.78 -48.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.0 pp -54.45 -23.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.14 120.18 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.3 p -93.54 108.66 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.9 -157.65 11.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -17.69 37.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.4 t -88.56 84.94 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' GLY . 5.2 m -89.64 162.22 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.447 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.7 t -66.37 86.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.3 t -130.77 153.25 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.36 136.06 4.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.7 t -158.78 108.73 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -61.09 98.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 93.95 147.84 22.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -142.96 133.16 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -151.18 -179.24 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -129.6 -45.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.77 52.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -104.66 143.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 167.04 25.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -133.97 145.4 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 t -109.26 -7.94 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.6 tpp -126.19 106.49 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -114.82 10.72 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -43.45 -53.8 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.02 156.15 39.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.6 Cg_endo -69.74 -177.61 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.392 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.13 173.07 8.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 tp -67.1 142.62 57.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 64.41 26.72 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -88.38 136.04 33.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.0 mt -103.68 127.79 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 9.5 p90 -151.13 159.16 44.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 13.3 tt0 -94.93 123.59 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 163.99 22.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.45 141.38 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.59 131.98 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.5 -22.19 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 ttt -147.99 139.28 23.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -122.51 124.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -129.93 160.94 32.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.31 -2.93 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -120.05 10.77 11.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.21 -173.42 24.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.41 151.26 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -92.97 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.6 mm -118.22 123.18 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -74.97 133.2 41.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 38' ' ' CYS . 63.1 mt -90.01 131.93 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.41 16.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 -37.5 2.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 99.7 m -78.02 -178.52 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -115.08 -46.87 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 14.7 tppt? -73.64 152.9 40.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mp0 -116.27 166.92 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.997 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.15 154.47 16.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -102.36 137.78 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.0 t -111.23 102.49 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.89 153.15 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 47' ' ' THR . 11.4 ptt180 -59.4 -32.26 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 13.4 p -64.5 -29.38 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -90.92 -31.93 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 mtp -44.21 -32.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 t -157.48 146.91 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -63.05 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -53.81 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmt-85 -60.45 169.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 100.0 t -144.09 133.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.55 -36.17 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -148.97 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.7 Cg_endo -69.78 -19.15 36.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.1 p -74.09 -3.61 30.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -108.41 -5.35 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt -93.99 -47.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.37 169.87 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' VAL . 2.3 m-20 -157.81 136.12 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . 99.5 t -37.43 119.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.86 -27.57 7.43 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.549 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -79.09 127.19 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 15.1 ttpp -100.2 132.43 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.3 m -141.21 170.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.4 m95 -92.29 141.3 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 87' ' ' MET . 2.8 m -138.02 162.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -134.92 125.29 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 74' ' ' ARG . 9.2 tp -60.14 129.76 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.409 HG21 ' CG2' ' A' ' 105' ' ' ILE . 6.1 pt -113.9 -26.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.48 108.79 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . 10.4 ptt85 -117.46 136.19 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -147.11 123.91 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 ttt -116.29 114.13 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -116.33 143.56 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -59.0 -13.64 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 10.6 t70 -101.98 -28.85 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 12.8 mtp180 -167.44 157.1 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.31 130.87 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 129.04 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.5 t -131.32 127.86 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -120.66 132.35 55.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.5 mt -123.82 159.01 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.5 t -121.68 152.06 39.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.432 ' CG ' HG12 ' A' ' 69' ' ' VAL . 80.5 mtp -124.04 -23.87 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -79.02 -21.25 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 99' ' ' ASP . 16.3 m -99.64 28.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -150.74 128.87 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -61.04 136.99 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 87' ' ' MET . 35.7 mm-40 -100.99 48.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.03 -40.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.3 p -117.87 -25.28 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.85 30.84 30.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -91.36 134.44 34.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.17 130.03 44.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 mt -101.58 -26.17 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' CG ' ' HB ' ' A' ' 89' ' ' VAL . 28.0 p-10 -120.07 76.41 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.288 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -102.86 -38.51 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 68.93 50.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -32.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -65.45 -51.94 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.409 ' CG2' HG21 ' A' ' 72' ' ' ILE . 2.2 pp -52.2 -23.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -84.08 -58.11 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -41.11 110.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.6 79.73 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 164.64 33.7 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.2 m -108.37 125.4 51.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -52.99 148.22 8.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.432 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.0 Cg_endo -69.74 169.53 18.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.735 2.29 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.66 171.02 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.953 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.7 tp -66.74 140.49 57.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 60.71 27.64 17.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.9 m -89.64 141.08 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 97' ' ' ASP . 78.2 mt -103.39 131.39 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.6 p90 -150.72 170.56 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -109.07 122.97 48.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.66 163.61 24.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -108.16 147.75 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' CD1' ' A' ' 33' ' ' ILE . 34.4 t -73.9 127.33 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.11 -25.2 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.9 ttt -146.62 140.35 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.1 124.53 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.1 p -126.11 160.91 28.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -126.6 8.72 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.51 -169.04 30.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.61 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 43' ' ' LEU . 24.0 m-85 -93.06 135.95 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 23' ' ' VAL . 42.0 mm -121.15 140.9 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -95.75 122.09 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 36' ' ' PRO . 39.7 mt -85.07 137.6 37.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.6 Cg_endo -69.8 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.36 48.59 4.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -138.29 -175.45 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -122.37 -29.71 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -114.72 158.48 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -109.63 151.99 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.42 156.63 17.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.8 tp -110.87 138.62 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 85' ' ' LEU . 76.6 t -113.87 100.72 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.53 153.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -60.47 -32.3 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.8 p -63.52 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.2 -22.68 17.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.0 mtp -50.86 -33.52 24.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 54' ' ' VAL . 4.3 t -154.98 129.91 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -51.51 -58.12 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.5 p -59.76 -177.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -62.46 132.87 53.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 50' ' ' SER . 98.4 t -111.75 111.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.67 -41.18 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 68.6 mttt -133.63 88.41 33.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.7 Cg_endo -69.87 -17.77 36.87 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.1 p -75.72 -5.03 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -110.23 -16.42 13.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.4 -41.68 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 170.36 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.93 137.72 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -38.9 125.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.47 -17.87 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.77 136.27 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HD3' ' CD ' ' A' ' 20' ' ' GLN . 17.6 ttmm -103.28 131.92 49.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG21 ' CE ' ' A' ' 87' ' ' MET . 30.5 m -141.07 170.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.521 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.8 m95 -98.52 132.18 44.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.786 HG12 ' HG2' ' A' ' 87' ' ' MET . 32.9 m -132.32 158.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -129.45 128.18 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.953 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.3 tp -61.53 127.7 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.22 -25.42 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 118.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.457 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HB3' HD21 ' A' ' 71' ' ' LEU . 13.9 ptm180 -120.6 125.06 46.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.736 0.303 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.11 124.04 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -116.82 113.99 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -117.99 146.16 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.61 -13.86 11.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.02 -29.32 13.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 3.5 ptm85 -175.55 157.04 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.0 mt -116.71 130.8 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -117.75 128.98 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.45 127.8 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -116.3 128.08 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.438 HD23 HD12 ' A' ' 71' ' ' LEU . 62.5 mt -120.82 152.35 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 89' ' ' VAL . 2.0 m -126.5 149.64 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.786 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.7 mtp -123.69 -29.34 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.94 -10.7 22.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 86' ' ' SER . 23.5 m -111.73 13.14 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.422 HG11 ' HB3' ' A' ' 68' ' ' TRP . 54.0 t -138.22 131.2 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.68 167.52 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -118.4 -11.89 9.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.35 -34.21 7.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 p -126.24 -32.18 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.67 15.47 54.69 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -76.04 146.07 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 30.1 t0 -59.87 131.87 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.3 mt -107.37 -17.95 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -130.45 75.76 78.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -2.02 9.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.427 ' HB3' HG23 ' A' ' 103' ' ' VAL . 77.7 m-20 -88.86 -41.13 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 64.07 43.4 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 101' ' ' ASN . 48.9 t -102.39 -37.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.724 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -61.76 -41.74 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.506 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.5 pp -57.35 -20.13 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.609 0.719 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.75 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.277 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.19 171.76 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.4 tp -66.34 140.54 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 64.37 26.73 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -90.99 135.11 33.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.8 mt -101.21 127.64 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.7 p90 -149.37 164.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -101.0 129.18 46.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.73 163.68 25.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -110.58 140.65 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -67.68 129.68 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.65 -21.99 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.548 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.1 ttt -147.98 139.1 23.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.93 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.1 p -124.71 160.36 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -72.52 1.4 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -126.59 9.75 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.97 -169.81 30.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.98 148.97 34.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 28.6 m-85 -93.2 129.57 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.5 mm -112.79 132.36 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -84.79 125.7 32.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.58 HG12 ' CE1' ' A' ' 19' ' ' PHE . 45.9 mt -88.41 136.03 32.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.646 0.736 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.2 Cg_endo -69.68 135.02 29.58 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.68 72.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.5 m -133.37 172.71 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -110.74 -42.62 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.85 155.04 20.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -117.1 168.52 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 153.62 16.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.18 132.93 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 85' ' ' LEU . 78.5 t -106.09 100.53 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.16 153.45 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -61.28 -31.08 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.6 p -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -95.58 -22.81 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.2 mtp -50.15 -37.81 36.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 27.6 t -152.97 -179.58 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' OG ' ' A' ' 50' ' ' SER . 94.7 p -108.92 -41.76 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.804 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.97 -174.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -59.97 105.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 40.7 t -90.38 124.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.49 -57.75 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.04 90.3 7.7 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.92 33.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.747 2.298 . . . . 0.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -81.38 -17.22 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.02 -10.36 28.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.5 mt -81.28 -32.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.63 170.69 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.28 136.16 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -41.68 121.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.62 -22.23 13.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.92 126.39 32.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.2 ttpp -93.28 132.04 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.08 169.37 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.464 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.7 m95 -98.82 140.81 32.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG3' ' A' ' 87' ' ' MET . 5.4 m -140.04 164.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -133.6 123.07 24.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.968 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.0 tp -60.54 130.8 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -115.34 -24.49 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.47 109.69 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.968 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.2 ptm180 -113.09 126.77 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -137.27 123.9 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.0 ttt -118.11 114.1 22.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -115.01 141.84 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -59.34 -13.72 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 18.6 t0 -101.31 -28.61 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 16.1 mtp180 -166.84 157.08 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.15 129.77 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -130.87 129.06 41.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 71' ' ' LEU . 59.7 t -126.58 129.08 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -111.18 129.47 55.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 71' ' ' LEU . 29.4 mt -125.16 154.9 40.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 89' ' ' VAL . 11.8 t -116.76 151.1 37.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG3' HG12 ' A' ' 69' ' ' VAL . 71.8 mtp -122.35 -35.22 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -67.14 -21.62 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.642 HG22 ' OG ' ' A' ' 86' ' ' SER . 33.2 m -100.54 26.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 22.3 t -148.21 130.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -67.07 132.21 47.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -95.25 43.74 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.04 -34.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 p -125.65 -25.09 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.78 31.69 32.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -96.06 136.39 36.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -55.39 119.39 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.3 -33.46 16.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.04 79.17 42.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.712 0.768 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.0 35.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.733 2.289 . . . . 0.0 112.356 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 -38.48 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.61 49.21 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.01 -35.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.2 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -62.23 -49.08 85.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.06 -21.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.571 0.701 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.3 Cg_endo -69.85 -173.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.274 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.86 -179.37 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.735 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.5 tp -68.97 147.2 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 55.19 26.35 8.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -91.14 132.91 35.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.546 HD11 ' OD2' ' A' ' 97' ' ' ASP . 73.1 mt -101.21 139.07 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 10.1 p90 -154.6 164.13 39.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 10.5 tt0 -98.42 120.59 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' HD3' ' A' ' 66' ' ' LYS . . . -131.55 162.43 23.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.08 140.93 41.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.09 133.42 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -117.7 -23.25 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.29 140.29 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.91 124.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.596 HG21 ' OH ' ' A' ' 29' ' ' TYR . 71.3 p -130.24 162.5 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -72.8 -0.67 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' OH ' HG21 ' A' ' 27' ' ' THR . 13.0 p90 -118.34 6.33 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.85 -167.26 27.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.73 149.18 40.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 43' ' ' LEU . 37.6 m-85 -95.77 124.47 39.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.41 131.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 35.1 mtmt -86.85 125.77 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 36' ' ' PRO . 54.0 mt -86.32 135.63 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.708 0.765 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.7 Cg_endo -69.78 129.94 18.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.35 23.63 75.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.7 t -132.58 167.94 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -111.49 -19.67 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.76 151.2 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -118.7 153.88 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.09 149.39 17.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -99.46 140.24 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 54.5 t -113.75 103.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -49.59 151.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 54' ' ' VAL . 6.8 ptt-85 -60.04 -34.44 73.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 47' ' ' THR . 2.8 p -63.27 -25.59 68.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -95.52 -25.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.1 mtp -48.34 -44.54 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -146.36 156.53 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.01 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -60.12 113.66 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 46' ' ' ARG . 61.0 t -86.65 110.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -118.4 -55.22 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 81.76 1.51 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -13.16 34.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -89.04 -11.34 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -99.1 -11.46 21.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.1 mt -83.71 -34.16 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.81 172.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -156.26 168.4 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.44 115.5 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.35 -19.4 9.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -85.69 127.6 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 tppp? -87.44 134.92 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.12 157.4 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.4 m95 -93.09 139.31 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 87' ' ' MET . 2.6 m -143.89 159.37 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 89' ' ' VAL . 24.5 pttt -131.38 133.06 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.967 HD21 ' CG ' ' A' ' 74' ' ' ARG . 20.1 tp -60.83 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.5 pt -112.95 -24.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.96 137.5 4.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.967 ' CG ' HD21 ' A' ' 71' ' ' LEU . 31.0 mtp180 -111.4 124.56 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' LYS . 44.0 mm-40 -142.83 123.74 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -118.09 128.81 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 152.53 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.06 -13.81 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.43 -31.17 12.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -176.06 157.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -87.74 134.44 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLU . 14.8 mmmt -117.66 128.92 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -123.7 128.9 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.538 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.3 m -100.75 125.59 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 59.9 mt -124.7 152.8 43.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 89' ' ' VAL . 48.3 t -121.12 150.1 41.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 77.9 mtp -122.4 -37.62 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -66.63 -11.4 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.831 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -107.32 18.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 68' ' ' TRP . 10.1 t -145.47 142.1 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -72.76 127.31 32.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.22 48.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.41 -39.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -117.32 -20.93 8.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 111.165 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.509 ' HA2' ' CG ' ' A' ' 68' ' ' TRP . . . 80.8 25.56 55.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -94.2 133.71 37.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.546 ' OD2' HD11 ' A' ' 18' ' ' ILE . 3.3 t70 -57.29 125.07 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.1 mt -90.01 -29.78 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 1.6 t70 -129.51 77.18 77.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.696 0.76 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.14 6.44 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -82.39 -25.55 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 48.76 50.76 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.4 p -112.78 -19.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.437 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.1 mp -77.37 -47.53 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.462 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -55.6 -21.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 40' ' ' LYS . 53.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.626 0.727 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.81 178.78 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.312 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.11 175.51 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD23 ' A' ' 71' ' ' LEU . 14.4 tp -67.25 143.92 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.47 25.15 15.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.7 m -86.8 150.64 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' A' ' 97' ' ' ASP . 84.0 mt -113.27 134.69 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CE1' HG23 ' A' ' 69' ' ' VAL . 10.7 p90 -155.75 160.1 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 4.0 tt0 -96.47 125.95 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 159.95 24.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -110.92 144.14 40.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.54 HG21 ' HB ' ' A' ' 61' ' ' VAL . 41.0 t -67.27 132.71 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.717 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . . . -119.58 -21.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.2 ttt -147.87 141.02 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.77 124.73 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 p -121.72 161.24 22.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.47 3.19 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -131.3 16.18 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.96 -163.3 27.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.8 152.09 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -94.37 135.34 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.1 mm -121.92 128.78 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.717 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 9.5 mtmp? -83.57 131.82 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.538 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -85.34 135.41 38.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.3 Cg_endo -69.8 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 32.24 25.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -151.99 -178.7 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -119.53 -33.9 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.16 150.6 46.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -121.92 142.99 49.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.645 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -106.63 153.05 16.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.478 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -101.62 141.15 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' SD ' ' A' ' 87' ' ' MET . 89.0 t -114.01 104.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -54.32 153.53 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.5 mtm105 -58.83 -37.26 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -59.97 -25.91 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 86' ' ' SER . 68.7 m-70 -95.33 -13.82 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.682 ' CE ' HG22 ' A' ' 61' ' ' VAL . 47.8 mtp -71.59 -28.79 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.856 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.4 m -128.18 -178.04 4.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -76.26 -61.04 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -129.75 -66.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.89 132.13 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.856 HG22 ' HB2' ' A' ' 50' ' ' SER . 22.2 t -124.69 86.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.88 -60.66 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -148.38 134.12 9.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.37 25.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.5 p -76.3 -2.48 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -106.47 -12.37 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 49' ' ' MET . 12.9 mt -95.15 -43.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 ' CE ' ' A' ' 49' ' ' MET . 5.3 m -132.41 159.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.14 142.73 24.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -45.04 116.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.44 -23.38 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.58 126.33 32.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -95.6 131.78 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.644 HG21 ' CE ' ' A' ' 87' ' ' MET . 17.8 m -141.11 170.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.2 m95 -96.97 131.5 43.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG12 ' HG2' ' A' ' 87' ' ' MET . 33.2 m -130.64 157.25 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -131.7 128.1 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 15' ' ' LEU . 10.7 tp -60.52 129.45 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 105' ' ' ILE . 17.4 pt -112.36 -28.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.1 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.762 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptm180 -120.21 129.14 53.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.55 125.34 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -112.81 114.24 26.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.83 145.22 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -59.85 -13.96 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.76 -28.97 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -175.27 156.94 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.6 mt -103.87 129.74 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -117.91 124.06 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' HA2' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -133.72 133.13 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -120.02 132.54 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' LEU . 80.6 mt -121.53 157.75 30.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 89' ' ' VAL . 3.2 p -126.91 144.45 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.2 mtp -117.07 -33.4 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -64.21 -27.87 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 86' ' ' SER . 34.8 m -92.91 22.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.0 t -148.5 124.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.23 128.88 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 87' ' ' MET . 19.3 mp0 -90.9 45.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.03 -35.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -123.36 -31.72 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.087 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.6 12.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.25 135.55 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.498 ' CB ' HD11 ' A' ' 18' ' ' ILE . 23.5 t0 -60.54 124.09 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.37 -25.14 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 15.3 p-10 -112.38 75.96 1.85 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.698 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -109.35 -37.45 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.86 44.87 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.05 -22.99 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.438 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -82.51 -40.72 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.446 HG21 HG22 ' A' ' 72' ' ' ILE . 2.6 pp -59.79 -19.85 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 177.33 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.1 tp -67.12 143.12 56.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 60.86 26.72 16.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -89.99 145.75 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 97' ' ' ASP . 62.6 mt -108.91 130.66 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 17.7 p90 -151.39 160.67 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 13.7 tt0 -100.14 125.25 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 163.89 24.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -107.55 141.37 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.551 HG22 ' CD1' ' A' ' 33' ' ' ILE . 38.3 t -67.59 130.9 33.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.41 -25.63 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.414 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 6.7 ttt -147.98 141.12 25.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.35 124.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 p -123.97 157.51 34.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.89 -0.63 9.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -126.77 12.62 7.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.08 -169.47 30.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.45 148.85 31.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 12.6 m-85 -94.61 129.52 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' CD1' HG22 ' A' ' 23' ' ' VAL . 47.9 mm -117.27 134.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -89.29 132.95 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.2 mt -90.77 137.6 26.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.3 Cg_endo -69.73 121.24 7.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.17 28.69 39.96 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -145.4 164.43 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -101.9 -42.6 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -73.61 149.16 42.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -116.16 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.92 161.64 12.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -116.54 138.93 51.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 85' ' ' LEU . 81.3 t -112.2 103.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -47.75 152.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 2.4 ppt_? -58.9 -31.04 68.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -63.85 -42.81 97.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -78.34 -26.1 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.7 mtp -54.16 -30.32 48.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -121.78 176.53 5.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -92.11 -44.37 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.8 m -131.48 -73.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.54 68.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -46.35 -57.43 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -157.94 120.62 2.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.34 30.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -76.25 -4.97 44.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -109.02 -21.48 12.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 mt -72.48 -37.79 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 6.0 m -138.97 174.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -161.89 140.18 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -43.99 125.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.91 -23.37 27.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -81.6 129.42 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 1.1 ttmp? -94.84 131.93 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.04 168.19 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 96.2 m95 -96.73 141.17 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 85' ' ' LEU . 34.0 m -140.32 159.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 90' ' ' VAL . 19.0 ttpt -130.15 128.93 42.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 15' ' ' LEU . 8.2 tp -63.49 135.57 56.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 84' ' ' SER . 5.9 pt -116.13 -33.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.39 123.58 1.3 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.578 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptt85 -111.84 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -130.75 123.98 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtp -117.39 113.98 22.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -117.38 143.29 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.85 -13.98 13.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.97 -29.96 13.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -175.15 156.78 2.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.4 mt -110.14 128.94 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -118.16 129.05 55.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 HD11 ' A' ' 71' ' ' LEU . 96.5 t -131.3 118.95 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.8 m -101.72 134.24 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.701 HD23 HD12 ' A' ' 71' ' ' LEU . 67.5 mt -126.74 158.63 35.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.558 ' CB ' HG22 ' A' ' 89' ' ' VAL . 5.9 t -116.17 147.77 41.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.531 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.0 mtp -124.44 -22.16 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -82.15 -21.89 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 86' ' ' SER . 26.0 m -97.66 9.54 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 11.5 t -129.14 129.13 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -67.16 137.79 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -98.45 47.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.57 -38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.7 p -118.94 -32.64 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.26 28.11 16.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 139.12 31.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.604 ' HB2' HD11 ' A' ' 18' ' ' ILE . 19.1 t0 -60.82 116.92 4.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.6 mt -82.64 -37.79 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.71 78.83 12.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -11.91 31.66 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.3 -44.28 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 71.51 42.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.76 -31.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.9 mp -64.19 -59.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 106' ' ' GLU . 2.6 pp -45.47 -31.6 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.2 tp10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 38' ' ' CYS . 17.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.7 178.54 4.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.742 2.295 . . . . 0.0 112.316 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.55 174.01 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.724 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -69.11 144.06 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 61.46 25.98 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -88.4 138.45 31.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.209 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 ' CB ' ' A' ' 97' ' ' ASP . 82.2 mt -103.87 130.67 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 35' ' ' ILE . 9.2 p90 -151.01 157.98 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 19.4 tt0 -95.9 122.24 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.83 163.78 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -110.54 136.51 49.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -61.07 133.23 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.63 -23.94 8.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -147.99 140.96 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 72.0 t -120.93 123.98 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.1 p -123.51 159.95 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.44 1.49 7.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -127.68 11.43 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.28 -170.99 29.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.564 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.97 147.75 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -93.08 128.14 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 23' ' ' VAL . 37.0 mm -110.07 139.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 15.1 mtpt -95.8 126.57 41.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 36' ' ' PRO . 46.5 mt -85.42 137.21 36.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.74 120.12 6.96 Favored 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.84 44.5 24.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.501 ' SG ' HD23 ' A' ' 12' ' ' LEU . 3.1 m -141.38 -177.58 5.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -115.66 -49.8 2.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -88.5 153.77 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -109.59 160.07 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.8 147.5 17.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 tp -100.78 137.16 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 85' ' ' LEU . 71.7 t -109.92 101.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -48.66 153.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 47' ' ' THR . 15.9 ptt180 -60.54 -35.06 75.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 9.5 t -69.77 -20.89 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -95.43 -20.73 18.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 58.0 mtp -61.62 -39.09 90.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.9 t -153.72 143.57 21.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.9 t -71.92 -48.48 45.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.7 m -52.75 178.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.61 97.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 50' ' ' SER . 19.1 t -72.12 115.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.62 -54.03 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -129.92 95.76 27.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.71 33.58 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 2.4 m -77.88 -7.68 57.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.12 -14.92 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.74 -31.05 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.7 m -145.75 173.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -157.34 134.55 10.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 62' ' ' ASP . 91.6 t -35.35 121.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.11 -22.31 11.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -81.04 126.87 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 32.4 ttmt -95.95 131.98 41.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 ' CE ' ' A' ' 87' ' ' MET . 16.7 m -141.06 170.03 14.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 95.9 m95 -99.98 129.85 46.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 87' ' ' MET . 29.6 m -130.54 158.27 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.2 ttpt -126.47 134.24 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.871 HD21 ' HB3' ' A' ' 74' ' ' ARG . 6.1 tp -65.56 127.02 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.598 HG22 HG21 ' A' ' 105' ' ' ILE . 19.1 pt -110.5 -25.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.38 118.64 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.871 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.4 ptm180 -119.91 126.83 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -139.0 124.03 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.1 mtp -114.71 114.5 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -117.77 143.9 45.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.04 -13.99 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.97 -28.96 13.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -175.03 157.02 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.6 mt -112.57 131.93 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -119.34 128.92 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.32 125.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.48 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.3 m -113.11 127.41 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' HD12 ' A' ' 71' ' ' LEU . 43.6 mt -120.83 148.4 44.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.438 ' OG ' HG22 ' A' ' 89' ' ' VAL . 19.0 t -120.21 149.3 42.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.669 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.9 mtp -122.27 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.37 -22.91 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.485 HG21 ' HE2' ' A' ' 70' ' ' LYS . 32.7 m -98.93 12.54 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 70' ' ' LYS . 42.6 t -134.61 130.65 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.76 124.83 24.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -88.98 41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.29 -33.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.9 p -128.46 -28.71 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.13 28.3 15.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -91.69 138.04 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.441 ' CB ' HD11 ' A' ' 18' ' ' ILE . 17.1 t0 -62.7 116.93 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.2 mt -82.12 -21.72 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 19.4 p-10 -127.2 78.37 74.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.723 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 0.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.783 2.322 . . . . 0.0 112.278 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -98.89 -37.62 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 62.33 51.77 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.4 t -111.23 -14.47 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.35 -56.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.598 HG21 HG22 ' A' ' 72' ' ' ILE . 2.5 pp -46.52 -27.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 105' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.624 0.726 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 179.28 3.76 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.94 -178.54 4.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.737 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.4 tp -69.72 148.44 49.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 55.98 28.33 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.1 m -90.69 136.58 32.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 97' ' ' ASP . 93.3 mt -101.85 130.02 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 69' ' ' VAL . 7.6 p90 -149.14 159.29 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' CZ2' ' A' ' 68' ' ' TRP . 24.5 tt0 -95.34 122.15 37.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.78 159.58 22.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -109.68 134.83 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.606 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.4 t -63.54 132.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . . . -118.48 -22.08 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -147.87 139.89 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 84.4 t -124.91 125.37 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.6 p -129.66 161.1 31.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.37 0.58 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -123.24 9.81 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.09 -167.64 27.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.89 147.14 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 43' ' ' LEU . 12.8 m-85 -93.33 134.6 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.7 mm -120.77 133.97 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 24' ' ' ALA . 28.3 mttm -85.4 123.03 30.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 59.4 mt -71.79 136.52 82.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.6 Cg_endo -69.72 126.57 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.89 33.08 78.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -141.75 -179.39 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -114.41 -49.3 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' A' ' 81' ' ' ILE . 22.3 mmtm -71.09 151.6 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -116.89 165.33 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 145.92 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.7 tp -96.27 138.9 33.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.5 t -112.95 106.69 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.408 ' HB3' HG22 ' A' ' 47' ' ' THR . 5.4 t-160 -53.61 148.33 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.847 ' O ' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.92 -31.37 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 45' ' ' HIS . 14.7 t -66.43 -29.46 69.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -87.93 -16.11 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.2 mtp -72.83 -47.3 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' VAL . 1.3 m -107.11 170.82 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -53.17 -69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.9 t -128.19 -71.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -77.81 137.56 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.847 HG21 ' O ' ' A' ' 46' ' ' ARG . 12.1 t -128.06 87.4 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.61 -68.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 18.3 mmtm -133.41 96.91 16.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.5 Cg_endo -69.82 -12.86 33.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.276 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 60.8 p -78.44 -7.76 57.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.08 -4.09 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.2 mt -87.27 -32.79 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 23.0 m -133.59 -175.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -161.97 139.8 8.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -49.82 119.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.7 -20.67 10.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.61 131.93 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -94.74 135.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 m -141.23 169.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 97.7 m95 -99.74 130.52 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 19' ' ' PHE . 29.7 m -129.78 156.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.6 ttpp -128.77 126.94 41.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 15' ' ' LEU . 7.7 tp -59.51 127.78 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.552 HG21 ' HB2' ' A' ' 86' ' ' SER . 14.1 pt -111.55 -23.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.77 125.56 1.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 71' ' ' LEU . 15.1 ptt85 -118.38 130.0 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.39 125.8 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.6 mtm -114.39 115.02 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 147.53 26.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.9 -13.83 12.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.26 156.88 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.714 HD12 ' HE2' ' A' ' 40' ' ' LYS . 96.8 mt -94.98 130.45 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -115.47 129.08 56.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG13 HD11 ' A' ' 71' ' ' LEU . 60.1 t -131.28 127.7 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -112.12 129.46 56.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.775 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.8 mt -122.62 161.82 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.552 ' HB2' HG21 ' A' ' 72' ' ' ILE . 33.4 t -128.48 149.62 50.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.566 ' CG ' HG12 ' A' ' 69' ' ' VAL . 73.2 mtp -124.35 -33.19 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -63.15 -15.99 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG22 ' OG ' ' A' ' 86' ' ' SER . 32.7 m -104.82 1.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 21.4 t -128.07 132.38 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.64 142.7 42.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 25.2 mp0 -99.24 -11.6 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.07 -29.56 22.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -127.96 -40.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.24 30.61 8.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -99.64 148.31 24.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 18' ' ' ILE . 27.0 t0 -62.49 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.6 mt -97.78 -34.22 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -119.99 76.16 22.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -11.17 30.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -76.14 -32.89 59.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 54.9 47.65 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 103' ' ' VAL . 63.4 t -112.63 -9.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.95 -47.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.549 HG21 HG22 ' A' ' 72' ' ' ILE . 2.3 pp -53.31 -23.17 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' N ' HD12 ' A' ' 105' ' ' ILE . 55.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.685 0.755 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 53.8 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.83 174.64 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.4 tp -67.21 142.8 56.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 62.55 26.61 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -87.48 135.8 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -101.67 127.82 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CE1' HG12 ' A' ' 35' ' ' ILE . 14.6 p90 -149.55 163.63 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.9 tt0 -101.89 124.48 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.59 159.11 23.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -103.43 142.11 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -68.6 125.17 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.12 -22.85 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 ttt -148.0 140.38 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 61' ' ' VAL . 53.5 t -121.88 124.08 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.45 HG21 ' CZ ' ' A' ' 29' ' ' TYR . 52.3 p -128.74 163.48 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' CZ ' HG21 ' A' ' 27' ' ' THR . 26.1 p90 -119.51 8.48 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.92 -170.16 25.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.23 151.05 43.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -93.45 128.99 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 23' ' ' VAL . 49.9 mm -114.6 125.26 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -83.12 124.27 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 36' ' ' PRO . 49.2 mt -79.92 138.07 53.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.82 129.27 17.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.95 33.44 70.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -138.71 178.45 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -113.14 -53.15 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -75.12 153.98 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -115.26 164.86 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -119.93 153.33 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.88 136.08 45.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.1 t -110.32 115.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.622 ' ND1' HG22 ' A' ' 47' ' ' THR . 6.0 t-160 -53.69 142.37 23.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' THR . 12.4 ptt-85 -59.8 -31.54 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.622 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.0 t -77.87 -16.72 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 88' ' ' LYS . 22.8 m-70 -92.9 -27.63 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 61' ' ' VAL . 13.3 mtm -54.93 -41.01 70.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.68 145.4 51.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -64.59 -64.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.22 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -64.62 133.38 52.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -114.41 140.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.86 -30.18 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -132.27 83.32 55.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -21.56 33.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.27 . . . . 0.0 112.409 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 m -69.57 -9.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -106.88 -11.38 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.0 mt -84.57 -39.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 26' ' ' VAL . 2.9 m -128.22 155.64 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.054 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -148.22 137.38 21.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.55 118.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.11 -21.42 9.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.42 135.72 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 17.3 ttpt -100.64 132.4 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -141.02 167.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' HB3' HG11 ' A' ' 90' ' ' VAL . 96.8 m95 -98.97 135.71 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.97 HG12 ' HG2' ' A' ' 87' ' ' MET . 10.8 m -136.72 161.28 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.722 ' CE ' HG21 ' A' ' 89' ' ' VAL . 11.6 ttpp -130.73 130.28 43.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.843 HD21 ' HB3' ' A' ' 74' ' ' ARG . 7.5 tp -62.64 126.53 27.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.3 pt -110.93 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.46 119.3 0.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.843 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.0 ptm180 -119.3 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.814 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -139.87 124.25 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -116.65 114.14 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -117.21 146.13 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.63 -13.98 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.87 -29.69 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -175.28 157.0 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.75 123.94 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -108.55 127.63 54.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.06 126.47 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -120.32 133.86 55.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.784 ' HB2' HG22 ' A' ' 44' ' ' VAL . 5.7 mt -126.68 160.48 30.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 p -131.71 149.4 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.97 ' HG2' HG12 ' A' ' 69' ' ' VAL . 51.3 mtp -123.44 -15.06 7.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HD3' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -71.94 -18.08 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.722 HG21 ' CE ' ' A' ' 70' ' ' LYS . 30.8 m -102.75 3.52 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.507 HG11 ' HB3' ' A' ' 68' ' ' TRP . 60.1 t -130.97 129.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 98' ' ' LEU . 5.8 t-20 -64.49 162.85 14.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -112.02 -29.74 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.75 -28.19 73.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 p -134.87 -39.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 18.16 19.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -81.28 145.3 30.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.01 137.87 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 91' ' ' ASN . 55.5 mt -111.89 -24.25 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -133.37 81.01 56.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -2.71 10.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.5 t-20 -80.44 -30.3 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.445 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.7 OUTLIER 48.41 40.37 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 101' ' ' ASN . 62.2 t -108.93 -34.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.729 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.4 mp -53.72 -42.38 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.4 pp -52.7 -25.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.8 Cg_endo -69.81 167.77 23.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.263 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.19 176.91 9.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.8 tp -66.92 143.74 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.62 28.01 16.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -89.16 137.53 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.06 128.86 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 35' ' ' ILE . 18.4 p90 -151.48 159.78 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 16.7 tt0 -98.07 128.78 44.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.21 164.02 25.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.63 138.05 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -65.17 129.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.49 -22.06 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 5.2 ttt -147.6 138.52 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.02 123.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.3 p -126.25 160.76 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 2.13 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -125.58 10.12 7.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.39 -168.05 28.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.03 151.22 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 5.7 m-85 -95.29 126.19 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.0 mm -112.32 118.65 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -77.44 130.7 37.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 36' ' ' PRO . 40.8 mt -88.18 137.64 31.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 0.0 111.138 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.8 128.16 15.6 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 35.08 61.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.5 m -139.14 176.97 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -116.63 -30.44 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HE2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.26 156.3 31.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.03 160.21 13.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.59 139.33 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.375 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 85' ' ' LEU . 79.0 t -112.12 110.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.18 152.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 47' ' ' THR . 7.9 ptt-85 -60.57 -35.85 77.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 5.3 t -67.84 -24.15 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.593 ' CD2' ' HE2' ' A' ' 88' ' ' LYS . 14.0 m80 -95.08 -19.58 20.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.435 ' CE ' HG22 ' A' ' 61' ' ' VAL . 41.7 mtp -59.88 -25.55 65.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -169.56 147.19 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -75.79 -51.39 12.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.17 177.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 18.9 ttm105 -60.75 101.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.652 HG13 HD11 ' A' ' 60' ' ' ILE . 92.4 t -75.86 97.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.1 -46.9 17.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -152.35 126.1 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 54.1 Cg_endo -69.68 -13.38 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.774 2.316 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.3 p -74.25 -25.32 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.33 -7.14 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.652 HD11 HG13 ' A' ' 54' ' ' VAL . 32.6 mt -85.12 -35.15 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CE ' ' A' ' 49' ' ' MET . 27.2 m -153.68 179.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.55 138.36 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 23' ' ' VAL . 90.1 t -40.68 114.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.77 -23.6 6.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 137.05 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 34.1 ttpt -101.76 131.92 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.494 HG21 ' CE ' ' A' ' 87' ' ' MET . 36.0 m -140.95 169.97 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -98.58 133.83 42.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.745 HG12 ' HG2' ' A' ' 87' ' ' MET . 27.5 m -136.04 156.55 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -130.15 126.47 37.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 74' ' ' ARG . 11.4 tp -59.41 128.91 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.53 ' CG2' HG21 ' A' ' 105' ' ' ILE . 9.7 pt -110.38 -29.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.98 109.96 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.892 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptm180 -111.88 129.85 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -134.99 123.77 23.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt -118.32 113.94 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -116.72 144.38 44.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -13.75 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 15.0 m-20 -98.16 -31.5 12.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 28.0 mtp180 -167.18 157.14 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 ' HE2' ' A' ' 40' ' ' LYS . 85.9 mt -118.68 127.0 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -123.75 128.96 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 71' ' ' LEU . 58.9 t -127.98 129.1 69.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -112.89 131.28 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.829 HD23 HD12 ' A' ' 71' ' ' LEU . 60.6 mt -125.01 151.5 45.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' HG21 ' A' ' 72' ' ' ILE . 16.8 p -121.3 151.27 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.745 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.8 mtp -126.06 -27.79 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.593 ' HE2' ' CD2' ' A' ' 48' ' ' HIS . 63.7 pttt -69.03 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 86' ' ' SER . 27.8 m -111.85 28.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.408 HG11 ' HB3' ' A' ' 68' ' ' TRP . 38.7 t -149.76 131.58 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.95 131.68 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -93.21 38.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -143.27 -43.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.1 p -118.98 -23.68 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.83 21.98 51.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -82.58 136.58 34.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.66 121.89 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.73 -28.38 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t70 -125.06 79.46 65.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.07 4.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.44 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 0.9 OUTLIER -90.87 -34.18 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.6 OUTLIER 47.55 51.5 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.0 -21.61 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -61.75 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.576 HG22 ' NE2' ' A' ' 48' ' ' HIS . 2.7 pp -54.85 -23.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.7 Cg_endo -69.78 169.02 19.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.247 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 174.92 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.2 tp -65.28 140.77 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 20.0 m-85 62.99 28.02 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.6 m -90.08 135.8 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -101.31 130.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 11.2 p90 -151.55 160.2 43.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 4.2 tt0 -96.39 127.07 42.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.12 161.44 25.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -108.31 141.06 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 33' ' ' ILE . 41.7 t -67.47 133.35 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.96 -23.72 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.1 ttt -145.43 140.52 27.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -124.58 125.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 31.5 p -129.78 162.11 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.05 0.02 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 39.7 p90 -119.42 1.02 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.26 -163.12 30.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.32 147.98 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 43' ' ' LEU . 58.9 m-85 -93.69 135.3 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' HG22 ' A' ' 23' ' ' VAL . 24.6 mm -120.96 127.83 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 26.3 mtmt -81.22 128.28 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 61.3 mt -85.8 136.06 37.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.74 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.15 11.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.426 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -156.39 174.86 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -111.27 -44.31 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -74.01 143.92 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 24.4 mt-30 -117.01 154.71 30.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.0 160.81 15.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.9 tp -111.56 134.77 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 85' ' ' LEU . 92.7 t -107.06 108.5 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.64 149.35 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.02 -31.15 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -67.25 -31.86 72.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CD2' ' HE3' ' A' ' 88' ' ' LYS . 73.6 m80 -90.63 -28.46 18.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.3 mtp -44.17 -33.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 54' ' ' VAL . 32.5 t -154.19 160.87 42.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t -84.85 -50.14 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.03 178.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 13.8 ttm105 -60.01 108.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.6 t -88.72 110.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -111.46 -35.56 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 45.2 mttp -133.37 88.95 33.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.9 Cg_endo -69.78 -20.64 34.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -73.09 -12.12 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -102.56 -6.15 23.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.42 -39.7 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.05 167.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.19 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.09 139.61 20.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.0 116.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.66 -18.86 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -86.56 136.9 32.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 25.0 ttpt -100.11 131.91 45.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.1 m -141.04 170.09 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -100.23 129.9 46.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG2' ' A' ' 87' ' ' MET . 24.3 m -128.59 161.92 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.2 ttpp -134.18 125.83 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.84 HD21 ' HB3' ' A' ' 74' ' ' ARG . 14.8 tp -58.93 129.84 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 86' ' ' SER . 6.0 pt -113.11 -24.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 113.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.84 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.6 ptm180 -117.77 130.75 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -141.46 124.02 15.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.61 114.04 24.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.03 143.83 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -60.14 -13.86 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.32 -27.49 13.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 2.6 ptm85 -175.1 153.06 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.59 129.18 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.52 124.14 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.5 m -131.25 133.17 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -126.34 141.25 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 71' ' ' LEU . 20.3 mt -129.22 162.79 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.727 ' OG ' HG22 ' A' ' 89' ' ' VAL . 31.4 t -126.12 146.78 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.8 mtp -121.44 -21.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 48' ' ' HIS . 18.3 pttp -78.58 -12.88 60.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.727 HG22 ' OG ' ' A' ' 86' ' ' SER . 34.1 m -104.8 13.09 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -138.08 129.49 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -61.35 133.28 55.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -98.57 50.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.61 -35.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.8 p -125.16 -21.2 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.31 28.23 41.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -90.51 137.41 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 130.24 45.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -106.18 -5.33 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -131.36 81.15 66.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.893 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.42 3.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.653 ' ND2' HG12 ' A' ' 103' ' ' VAL . 25.0 p-10 -112.47 -30.75 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.481 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER 49.62 52.61 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.653 HG12 ' ND2' ' A' ' 101' ' ' ASN . 10.6 p -119.66 -21.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.62 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.8 mp -52.28 -45.53 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.519 HG22 ' NE2' ' A' ' 48' ' ' HIS . 2.6 pp -63.15 -19.12 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 40' ' ' LYS . 33.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.31 -176.16 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -71.34 144.61 49.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 60.76 29.09 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.9 m -90.61 133.99 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 95' ' ' GLY . 84.9 mt -102.14 127.41 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -149.53 161.36 42.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 4.3 tt0 -96.07 130.09 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 163.43 25.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -113.38 142.48 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HB ' ' A' ' 61' ' ' VAL . 40.5 t -66.79 134.24 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.43 -20.81 5.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.9 ttt -146.95 140.34 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.54 124.02 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.7 p -126.07 157.9 36.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -5.61 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -116.31 6.47 13.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.25 -166.35 28.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.62 151.53 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 43' ' ' LEU . 53.4 m-85 -96.83 134.96 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG11 ' A' ' 69' ' ' VAL . 50.2 mm -116.42 131.43 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -85.71 127.28 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.0 mt -82.18 134.07 49.76 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 0.0 111.196 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.77 133.35 25.35 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.2 28.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.28 175.31 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.31 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -112.36 -38.46 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.3 tppt? -72.0 145.36 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -114.67 154.8 27.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -115.36 148.13 18.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.0 tp -97.14 140.74 31.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.878 HG22 ' HB2' ' A' ' 85' ' ' LEU . 47.0 t -115.7 116.38 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.609 ' ND1' HG22 ' A' ' 47' ' ' THR . 5.1 t-160 -53.44 144.09 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.03 -32.46 69.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' ND1' ' A' ' 45' ' ' HIS . 10.5 t -77.99 -16.46 58.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -93.53 -17.26 23.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.401 ' CE ' ' CB ' ' A' ' 57' ' ' PRO . 26.4 mtm -69.36 -34.33 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -146.3 144.55 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 p -79.23 -47.69 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.16 -177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 5.7 tmm_? -59.88 132.78 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 60' ' ' ILE . 16.3 t -119.04 119.71 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.51 -44.3 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -147.85 121.95 4.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.571 0.701 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' CB ' ' CE ' ' A' ' 49' ' ' MET . 53.6 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -75.53 -17.91 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -103.76 5.99 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.932 HD11 HG13 ' A' ' 54' ' ' VAL . 15.6 mt -105.76 -36.46 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 31' ' ' ALA . 4.4 m -133.44 162.37 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -154.44 141.64 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -49.89 121.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.33 -27.73 7.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.98 126.91 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -94.59 131.96 39.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.4 m -141.13 170.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.508 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.4 m95 -99.01 133.2 43.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.7 m -131.3 155.51 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -129.66 126.56 38.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.803 HD12 HD23 ' A' ' 85' ' ' LEU . 6.1 tp -61.12 130.13 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 HG21 ' A' ' 105' ' ' ILE . 11.0 pt -117.2 -19.67 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.47 115.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.679 ' HB3' HD21 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -117.35 123.12 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.811 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -132.44 123.72 27.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 ptm -118.26 119.12 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 6.1 tmtm? -115.18 149.68 37.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 54.7 m-20 -59.85 -14.01 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' H ' ' CD ' ' A' ' 77' ' ' LYS . 2.6 t70 -98.24 -28.69 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 82' ' ' LYS . 19.9 ptt180 -175.17 156.58 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.89 128.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mtpm? -128.3 129.18 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 71' ' ' LEU . 21.5 t -116.0 132.46 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -103.64 130.2 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.878 ' HB2' HG22 ' A' ' 44' ' ' VAL . 49.1 mt -126.43 155.72 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -130.22 145.05 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.713 ' HG2' HG12 ' A' ' 69' ' ' VAL . 70.1 mtp -120.79 -21.71 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -72.99 -9.98 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.12 11.71 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.17 142.17 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -76.98 125.39 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.07 45.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.53 -35.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.6 p -124.32 -26.21 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 18' ' ' ILE . . . 82.44 31.23 31.19 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -96.35 133.77 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.85 123.12 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -92.87 -30.35 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.45 79.93 60.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.18 9.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -87.6 -27.81 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.7 m120 53.78 42.51 31.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -26.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.513 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -69.85 -46.3 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -51.84 -25.31 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.586 0.707 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.12 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.01 179.6 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.5 tp -68.9 149.4 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 102' ' ' ASN . 43.8 m-85 54.88 25.07 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -84.4 133.98 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -101.41 128.52 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 10.9 p90 -149.28 164.2 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 3.9 tt0 -97.01 127.13 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.16 163.87 25.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -111.71 146.44 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.46 125.43 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.2 -20.73 11.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 ttt -146.59 135.12 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.55 123.95 72.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -128.2 160.93 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -7.35 40.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -114.36 10.9 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.45 -166.59 26.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.97 151.84 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -94.45 132.14 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.704 HG13 HG11 ' A' ' 69' ' ' VAL . 43.2 mm -114.0 131.32 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -85.82 127.41 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 19' ' ' PHE . 64.3 mt -86.82 130.15 49.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.85 7.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.614 2.209 . . . . 0.0 112.377 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.21 27.69 24.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.8 m -145.47 176.54 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -114.93 -24.99 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -93.08 151.74 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -121.25 149.69 42.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.642 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.61 157.3 16.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.63 140.77 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.5 t -112.4 111.3 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' ND1' HG22 ' A' ' 47' ' ' THR . 7.0 t-160 -54.06 149.14 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.05 -33.78 72.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' ND1' ' A' ' 45' ' ' HIS . 12.5 t -71.01 -22.38 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.1 -10.67 32.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.0 mtp -68.16 -36.75 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.692 ' HB3' HG22 ' A' ' 54' ' ' VAL . 2.0 t -151.96 146.11 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -73.06 -44.89 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m -61.63 -177.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -63.52 100.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 50' ' ' SER . 34.3 t -82.6 114.93 24.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -112.88 -48.96 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -124.15 97.66 40.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -12.73 33.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -80.61 -19.52 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -93.47 -3.07 53.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mt -93.33 -36.11 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.4 171.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.96 148.21 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.32 113.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.11 -25.35 5.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.47 136.1 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -101.77 131.83 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.13 170.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.0 m95 -97.98 132.67 43.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.754 HG12 ' CG ' ' A' ' 87' ' ' MET . 34.0 m -128.86 163.63 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.4 ttmt -136.77 126.34 25.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.7 tp -62.67 133.64 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 86' ' ' SER . 8.0 pt -118.4 -23.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.38 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.992 ' HB3' HD21 ' A' ' 71' ' ' LEU . 17.3 ptt-85 -118.21 129.98 55.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.297 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -144.76 123.95 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.46 114.16 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -116.3 148.8 40.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.32 -13.88 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -94.22 -32.4 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 82' ' ' LYS . 17.3 ptm180 -175.76 157.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.81 118.45 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -104.54 124.87 50.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.642 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.3 m -134.12 133.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -125.47 134.76 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.628 ' HB2' HG22 ' A' ' 44' ' ' VAL . 21.1 mt -125.06 161.25 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 8.1 t -135.12 142.68 46.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.754 ' CG ' HG12 ' A' ' 69' ' ' VAL . 53.6 mtp -112.78 -29.72 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -61.98 -19.36 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.467 HG12 ' OD2' ' A' ' 99' ' ' ASP . 4.1 m -102.62 21.32 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 16.8 t -148.18 134.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -69.9 124.51 24.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -86.24 51.11 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.93 -34.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -125.12 -31.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.04 28.59 17.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.14 134.56 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -56.34 116.53 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.97 -35.33 17.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.707 ' OD1' HD13 ' A' ' 104' ' ' ILE . 2.9 m-20 -113.96 76.46 3.32 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.648 0.737 . . . . 0.0 110.941 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -19.41 36.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.44 -42.22 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 8.9 m-80 67.31 42.86 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.72 -17.55 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.707 HD13 ' OD1' ' A' ' 99' ' ' ASP . 4.3 mp -79.18 -53.9 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -49.85 -25.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.639 0.733 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.72 175.94 7.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 172.39 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HA ' HD23 ' A' ' 71' ' ' LEU . 17.9 tp -65.97 145.2 56.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 23.3 m-85 58.72 26.97 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 m -89.88 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.97 132.8 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -154.49 164.68 38.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 3.9 tt0 -100.47 123.47 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.09 162.46 23.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -108.61 138.8 44.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 33' ' ' ILE . 46.5 t -67.65 126.11 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.36 -21.86 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.515 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.7 ttt -147.61 139.75 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.06 123.98 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p -128.74 160.79 31.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -6.56 40.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -117.36 11.72 14.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.93 -168.96 27.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.08 148.66 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 14.4 m-85 -93.33 134.65 35.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 23' ' ' VAL . 11.5 mm -121.25 131.76 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 44.5 mttt -84.8 130.09 34.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 36' ' ' PRO . 55.9 mt -89.77 137.47 28.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.724 . . . . 0.0 111.188 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.1 Cg_endo -69.78 123.35 10.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.94 36.37 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 96.2 m -146.25 170.19 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -109.12 -37.21 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmtm -88.76 152.04 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 23.1 mt-30 -115.51 164.47 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.0 150.76 18.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.56 134.81 41.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB2' ' A' ' 85' ' ' LEU . 82.8 t -105.93 110.93 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.27 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -59.21 -32.09 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 13.4 t -64.89 -32.03 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -92.56 -12.89 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.1 mtp -64.13 -24.65 67.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.733 ' HB3' HG22 ' A' ' 54' ' ' VAL . 13.4 t -162.85 147.72 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -68.16 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 96.6 m -47.16 171.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.7 99.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 50' ' ' SER . 48.0 t -68.18 119.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -46.4 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 21.0 mtmm -140.68 104.92 6.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.7 -19.53 36.3 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 t -72.55 -10.21 59.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -106.34 1.19 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mt -90.89 -36.56 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG21 HG21 ' A' ' 23' ' ' VAL . 2.4 m -144.44 177.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -154.79 138.71 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -38.83 122.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -22.81 19.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.15 130.77 35.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.3 ttmt -94.66 131.96 39.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.06 170.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 99.2 m95 -99.68 132.51 44.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.6 m -134.85 158.28 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 89' ' ' VAL . 20.0 ttpt -128.69 131.05 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 74' ' ' ARG . 5.9 tp -64.23 128.71 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 pt -110.17 -30.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.36 114.18 0.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.94 ' HB3' HD21 ' A' ' 71' ' ' LEU . 8.9 ptt85 -116.91 129.97 56.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.02 123.81 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.4 mtp -118.03 113.96 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -116.52 143.91 45.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -59.36 -13.8 9.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 32.7 t70 -97.99 -30.06 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 24.5 mtt180 -168.64 157.15 8.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.497 HD12 ' HE2' ' A' ' 40' ' ' LYS . 52.3 mt -116.94 129.02 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -122.29 129.08 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.07 128.45 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -121.27 132.74 54.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.837 ' CD2' HD12 ' A' ' 71' ' ' LEU . 10.5 mt -124.58 160.73 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.588 ' HB2' HG22 ' A' ' 89' ' ' VAL . 2.8 p -126.57 151.04 48.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 69' ' ' VAL . 71.1 mtp -124.94 -24.84 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -72.89 -19.57 61.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' SER . 30.5 m -96.91 5.5 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -129.66 144.94 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -77.63 151.67 34.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -105.03 -12.63 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.51 -47.39 4.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -117.38 -24.12 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.53 56.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -72.63 160.48 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -78.17 127.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.0 mt -95.86 -28.77 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.56 77.47 75.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.389 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.56 -40.09 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 1.4 m-80 65.44 51.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -118.73 -13.67 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.5 mp -90.39 -37.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.623 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.25 -21.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.9 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.91 173.77 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.0 tp -65.91 141.99 58.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 62.89 25.32 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -90.51 135.23 33.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -101.34 126.69 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 11.6 p90 -143.01 162.94 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 20.9 tt0 -100.58 121.97 42.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.53 163.94 24.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -109.74 137.45 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 33' ' ' ILE . 54.9 t -63.48 133.24 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.64 -20.71 8.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.521 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 8.7 ttt -148.05 139.71 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.18 124.0 71.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.9 p -123.3 159.47 28.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.52 0.85 9.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -128.39 11.64 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.04 -167.46 31.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.72 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.2 m-85 -93.44 136.89 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.577 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.4 mm -121.67 129.36 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -82.5 129.86 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -87.46 138.02 32.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.777 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.1 Cg_endo -69.71 112.91 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.1 43.91 7.32 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.9 m -150.73 177.9 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -116.72 -35.77 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CE ' ' HB ' ' A' ' 81' ' ' ILE . 9.0 tptp -88.34 144.64 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -108.4 161.19 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.75 142.24 17.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 tp -93.59 137.65 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.692 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.3 t -109.72 105.79 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.65 ' ND1' HG22 ' A' ' 47' ' ' THR . 13.4 t-160 -51.86 146.04 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -60.5 -32.16 71.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.2 t -67.61 -22.95 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -94.97 -23.96 17.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 57' ' ' PRO . 23.8 mtp -50.37 -53.01 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -132.42 145.29 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -67.1 -58.12 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.4 m -59.59 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -60.37 146.55 43.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.17 137.02 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.36 -40.92 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -145.9 105.02 4.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 54.2 Cg_endo -69.77 -15.69 37.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -74.81 -12.24 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -102.81 -5.19 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.3 mt -85.14 -41.05 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.53 171.4 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.3 144.1 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.32 116.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.19 -22.51 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -84.1 128.72 34.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 21.4 ttpt -97.35 134.25 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.99 169.36 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.4 m95 -99.45 133.11 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.902 HG12 ' HG2' ' A' ' 87' ' ' MET . 12.6 m -139.17 157.84 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.923 ' HE3' HG21 ' A' ' 89' ' ' VAL . 9.9 pttp -126.8 137.89 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.6 tp -66.31 130.85 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 84' ' ' SER . 4.6 pt -111.78 -23.43 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.28 112.94 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.8 ptm180 -109.43 122.95 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -131.74 123.87 28.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' MET . 3.3 ppp? -117.97 121.48 40.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -117.24 148.55 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -13.78 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -100.33 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -175.79 154.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.422 ' HB ' ' CE ' ' A' ' 40' ' ' LYS . 60.9 mt -119.05 122.27 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -115.56 129.08 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.8 t -121.29 128.39 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 72' ' ' ILE . 1.9 m -106.73 130.27 54.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' HB2' HG22 ' A' ' 44' ' ' VAL . 50.9 mt -125.64 159.93 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.527 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.2 t -128.3 154.0 46.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.902 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.5 mtp -124.75 -35.51 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -62.12 -11.29 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.923 HG21 ' HE3' ' A' ' 70' ' ' LYS . 28.9 m -108.88 20.5 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 68' ' ' TRP . 11.0 t -146.13 141.9 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.154 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -76.93 129.8 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -89.26 38.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.74 -36.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 p -122.74 -21.6 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.153 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.72 21.93 60.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -84.12 137.15 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.02 127.85 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.7 mt -96.14 -15.99 21.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 16.9 p-10 -129.08 78.9 75.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.846 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 1.16 4.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -99.6 -37.17 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.72 47.49 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 101' ' ' ASN . 61.5 t -111.83 -12.16 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.1 mp -84.02 -46.31 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.6 pp -59.35 -19.65 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 -173.89 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.93 -178.42 4.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 71' ' ' LEU . 28.9 tp -69.23 147.84 50.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 57.73 25.61 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -89.46 143.71 26.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 97' ' ' ASP . 91.7 mt -109.78 135.86 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.1 p90 -156.56 163.39 39.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.425 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 12.6 tt0 -95.08 127.83 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.5 157.63 23.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -107.65 140.11 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 61' ' ' VAL . 31.6 t -67.62 128.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.73 -24.46 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttt -143.03 139.37 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -120.54 124.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -123.14 159.66 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.39 0.28 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -127.54 11.36 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.1 -164.44 29.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -150.84 150.04 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -93.39 134.45 35.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 69' ' ' VAL . 51.2 mm -115.62 129.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 44.8 mtmt -85.04 126.46 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.6 mt -85.95 133.67 40.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.4 Cg_endo -69.8 118.74 5.86 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.82 36.47 11.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.1 m -147.44 177.14 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -115.07 -33.44 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HE3' HD12 ' A' ' 81' ' ' ILE . 32.8 mmtt -90.61 155.63 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -123.13 155.15 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.05 160.4 13.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -108.89 138.67 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 85' ' ' LEU . 58.5 t -112.89 115.87 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.601 ' ND1' HG22 ' A' ' 47' ' ' THR . 3.3 t-160 -54.43 143.04 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 47' ' ' THR . 7.9 ppt_? -58.89 -31.27 68.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.601 HG22 ' ND1' ' A' ' 45' ' ' HIS . 6.8 t -77.99 -14.07 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -96.79 -19.06 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mtm -68.74 -36.69 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 t -144.75 140.34 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -80.2 -51.46 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -48.12 176.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -59.89 98.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 60' ' ' ILE . 2.8 t -78.83 125.96 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -108.03 -47.44 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -142.57 113.64 6.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -16.89 37.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -77.03 -11.72 59.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.13 0.35 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 54' ' ' VAL . 22.0 mt -99.47 -32.03 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 31' ' ' ALA . 3.9 m -134.88 152.83 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.98 143.31 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.29 115.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.21 -21.67 7.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.62 127.81 34.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.51 133.76 39.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.2 m -141.23 164.46 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.13 129.87 37.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 87' ' ' MET . 33.0 m -127.74 155.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.549 ' HZ3' HG21 ' A' ' 89' ' ' VAL . 20.4 ttpt -130.87 126.96 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 15' ' ' LEU . 13.8 tp -63.56 128.81 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 105' ' ' ILE . 17.5 pt -111.66 -24.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.24 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.76 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptt85 -121.58 123.13 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -130.39 124.01 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 mtp -113.45 113.97 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -116.81 145.61 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.74 -13.88 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 -31.66 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -175.38 157.04 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.578 HD12 ' HE3' ' A' ' 40' ' ' LYS . 60.4 mt -103.3 124.61 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -107.52 128.88 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.63 120.06 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 129.31 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 44' ' ' VAL . 19.5 mt -122.8 161.36 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -134.44 144.97 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.634 ' CG ' HG12 ' A' ' 69' ' ' VAL . 75.3 mtp -117.44 -24.24 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -66.84 -13.99 62.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.549 HG21 ' HZ3' ' A' ' 70' ' ' LYS . 34.3 m -108.9 17.35 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 t -141.78 138.05 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.65 128.98 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -91.92 52.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.56 -36.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -123.22 -26.92 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.92 29.78 22.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.426 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -94.17 134.68 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.521 ' CG ' HD11 ' A' ' 18' ' ' ILE . 20.0 t0 -59.53 123.18 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.72 -33.99 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' A' ' 104' ' ' ILE . 5.3 t70 -112.34 75.69 1.76 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -10.89 29.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.24 -37.53 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.57 48.33 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -105.6 -28.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.7 mp -70.43 -48.98 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 72' ' ' ILE . 2.4 pp -51.69 -25.74 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.8 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.673 0.749 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.89 13.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.5 178.05 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -67.33 152.83 45.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 51.56 27.05 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -89.42 140.06 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -107.64 131.55 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 69' ' ' VAL . 12.5 p90 -149.56 165.11 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 21.0 tt0 -101.48 122.45 43.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.97 162.89 24.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.93 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 61' ' ' VAL . 26.3 t -66.33 126.23 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -111.18 -23.63 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttt -147.04 138.84 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.2 t -121.33 124.03 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -128.09 156.79 42.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.57 -6.09 28.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -118.39 8.81 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.35 -172.64 30.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.51 148.01 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 43' ' ' LEU . 4.6 m-85 -97.67 132.87 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.4 mm -116.0 144.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 52.5 mttt -90.44 131.51 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.6 mt -90.36 131.42 38.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.632 0.73 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.19 9.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.77 60.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.05 168.62 19.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.33 -43.49 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -69.99 156.44 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -121.01 165.16 15.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.85 147.7 17.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.6 tp -100.74 141.59 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 85' ' ' LEU . 95.3 t -116.48 105.96 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.423 ' ND1' HG22 ' A' ' 47' ' ' THR . 2.7 t-160 -49.34 149.15 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.497 ' O ' HG21 ' A' ' 54' ' ' VAL . 10.9 ptt180 -59.14 -31.35 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.423 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.3 t -74.98 -20.06 59.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -95.92 -22.2 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.9 mtp -52.62 -51.73 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -131.01 152.18 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.6 t -70.38 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 m -55.91 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.54 125.49 24.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 46' ' ' ARG . 42.0 t -96.0 130.83 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -113.37 -52.5 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -136.76 112.41 9.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.81 27.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -71.11 -7.94 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.54 -1.35 24.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -93.94 -48.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 23' ' ' VAL . 4.8 m -135.29 173.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.45 139.41 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.4 t -38.24 117.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -20.67 10.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.12 127.99 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 4.2 ttpm? -93.9 132.0 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.01 169.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 98.0 m95 -98.22 132.8 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' A' ' 87' ' ' MET . 17.8 m -131.75 163.07 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' NZ ' HG21 ' A' ' 89' ' ' VAL . 15.9 ttpt -135.3 133.49 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.3 tp -68.76 129.78 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.49 -24.81 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.2 110.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.96 ' HB3' HD21 ' A' ' 71' ' ' LEU . 11.1 ptm180 -106.37 127.08 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -137.6 123.95 20.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -117.06 115.13 24.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -115.59 143.89 44.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -59.86 -13.98 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.05 -29.08 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 2.0 ptm85 -175.19 157.03 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.8 mt -109.28 132.44 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 123.18 40.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 71' ' ' LEU . 54.8 t -121.18 132.48 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.22 126.39 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' A' ' 44' ' ' VAL . 31.8 mt -125.72 153.96 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -131.53 153.81 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.721 ' HG3' HG12 ' A' ' 69' ' ' VAL . 50.5 mtp -122.12 -29.72 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -67.79 -8.03 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.566 HG21 ' NZ ' ' A' ' 70' ' ' LYS . 18.8 m -115.13 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' TRP . 20.8 t -146.51 135.1 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.3 125.81 26.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -88.99 44.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.34 -36.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.2 p -116.32 -32.65 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.17 26.1 24.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -95.18 135.36 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -57.05 128.66 38.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.8 -21.57 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 14.2 p-10 -120.03 76.49 22.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.28 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -105.94 -31.98 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.87 52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -106.07 -23.25 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.74 -55.52 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.577 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.7 pp -46.62 -26.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.608 ' N ' ' HG ' ' A' ' 38' ' ' CYS . 68.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.636 0.732 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -169.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.16 179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -66.49 149.13 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 50.7 24.94 1.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -85.2 139.64 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -105.54 131.22 55.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -150.23 167.98 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 17.6 tt0 -106.74 126.11 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.39 161.03 25.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.43 143.33 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.4 t -65.81 133.68 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 16.2 ttt -145.58 139.36 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -121.41 124.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -131.01 155.16 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.5 -6.52 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.2 6.36 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.44 -170.43 29.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.18 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 43' ' ' LEU . 2.4 m-85 -97.35 136.74 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 23' ' ' VAL . 9.5 mm -120.87 131.7 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 29.5 mtpt -82.74 134.07 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.572 HG23 ' HD2' ' A' ' 36' ' ' PRO . 45.2 mt -91.83 136.29 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 111.194 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.72 147.46 63.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.14 13.44 20.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.608 ' HG ' ' N ' ' A' ' 12' ' ' LEU . 57.4 m -130.49 179.34 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -116.59 -48.97 2.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -65.98 152.78 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 52.1 mt-30 -118.49 156.11 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.71 143.64 17.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.1 tp -97.24 139.28 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.0 t -112.14 116.21 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -57.26 147.47 25.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.99 -35.31 73.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -70.62 -21.66 62.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -91.08 -15.66 29.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.2 mtp -66.74 -46.89 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.7 m -106.4 172.0 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -62.91 -68.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.64 -69.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -79.77 133.25 36.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 50' ' ' SER . 3.1 t -126.13 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -62.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -148.8 121.46 4.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -24.02 29.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.4 p -75.52 -4.18 38.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -110.4 -9.96 14.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -89.49 -38.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.19 163.16 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.63 140.2 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.34 120.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.21 -16.13 27.49 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.1 131.04 34.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 31.2 ttmt -98.57 131.96 44.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.02 169.1 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.3 m95 -97.26 132.18 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.35 161.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.3 ttpt -135.91 126.68 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 15' ' ' LEU . 15.9 tp -60.87 130.33 45.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.594 HG22 HG21 ' A' ' 105' ' ' ILE . 9.4 pt -109.57 -30.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 139.82 6.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.903 ' CG ' HD21 ' A' ' 71' ' ' LEU . 44.1 mtp180 -112.89 123.77 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -135.19 123.79 23.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.8 138.63 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -118.04 150.38 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -59.08 -13.66 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.02 -29.21 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -176.15 157.06 1.76 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.5 mt -96.67 134.28 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 129.04 52.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 71' ' ' LEU . 63.6 t -118.73 130.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -97.19 129.78 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 44' ' ' VAL . 72.4 mt -125.81 153.28 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.656 ' HB3' HG22 ' A' ' 89' ' ' VAL . 33.4 m -122.21 153.73 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 67' ' ' VAL . 91.1 mtp -126.22 -27.69 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -77.27 -7.17 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.656 HG22 ' HB3' ' A' ' 86' ' ' SER . 29.7 m -109.18 19.76 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -143.16 143.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -76.26 123.53 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -86.54 38.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.53 -34.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.6 p -125.74 -26.82 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.97 28.69 27.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.2 137.03 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.725 0.297 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 23.5 t0 -57.66 120.71 8.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.22 -13.9 27.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 16.4 p-10 -127.89 75.99 77.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.817 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.52 -35.56 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 58.48 52.9 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 -17.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -82.9 -48.86 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.594 HG21 HG22 ' A' ' 72' ' ' ILE . 2.2 pp -49.55 -26.53 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.1 Cg_endo -69.75 -178.84 2.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.24 173.55 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 71' ' ' LEU . 24.2 tp -62.86 148.16 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 52.46 26.56 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -90.67 137.99 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.14 136.78 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.8 p90 -155.94 170.32 22.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 4.1 tt0 -107.21 125.89 51.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.54 164.02 24.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -110.78 134.31 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.7 t -64.1 128.04 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.86 11.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.503 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 24.5 ttt -147.88 140.86 24.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 61.1 t -123.98 124.46 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 p -127.77 161.94 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -72.88 -1.44 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -121.29 7.59 10.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.67 -166.06 29.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.5 148.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 13.9 m-85 -93.95 136.41 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.495 ' CD1' HG22 ' A' ' 23' ' ' VAL . 16.9 mm -123.09 136.13 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 41' ' ' GLN . 74.3 mttt -94.49 121.07 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.642 HG23 ' HD2' ' A' ' 36' ' ' PRO . 57.8 mt -82.25 137.88 45.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.634 0.73 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.7 120.13 6.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.83 41.65 22.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.42 -175.5 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -119.8 -32.89 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -116.41 160.7 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CD ' ' HE2' ' A' ' 34' ' ' LYS . 17.4 mt-30 -107.61 156.02 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.96 158.14 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.55 141.47 43.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 85' ' ' LEU . 66.4 t -114.87 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.73 150.78 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.68 -31.86 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.8 p -63.38 -34.4 77.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HE1' HG22 ' A' ' 105' ' ' ILE . 96.2 m-70 -88.0 -11.44 47.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.57 -23.8 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.595 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.3 t -133.49 167.59 20.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -58.92 -67.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.4 m -133.39 -69.46 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 128.98 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.5 t -121.61 95.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.58 -41.71 60.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -162.66 105.0 1.06 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.552 ' HA ' HD12 ' A' ' 60' ' ' ILE . 53.8 Cg_endo -69.71 -13.84 35.39 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 27.3 m -78.85 -24.58 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.2 -6.34 53.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 57' ' ' PRO . 49.9 mt -83.36 -35.29 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.52 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.81 135.5 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -39.15 122.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.53 -17.52 25.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.67 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 6.6 ttpm? -89.6 132.04 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.06 169.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.0 m95 -103.65 130.5 51.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.762 HG12 ' CG ' ' A' ' 87' ' ' MET . 28.6 m -129.7 157.09 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 89' ' ' VAL . 19.0 ttpt -130.44 126.2 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 15' ' ' LEU . 17.7 tp -59.29 138.15 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 84' ' ' SER . 6.7 pt -117.28 -32.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.24 137.04 4.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.833 ' CG ' HD21 ' A' ' 71' ' ' LEU . 72.2 mtp180 -109.42 123.05 48.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.09 124.3 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 113.89 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -103.63 148.98 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.34 -13.86 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -97.74 -30.68 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -176.25 156.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.8 121.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.53 129.27 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.88 118.57 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.642 ' HB3' HD11 ' A' ' 72' ' ' ILE . 17.9 m -97.02 127.2 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.885 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.9 mt -124.02 159.68 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 16.5 t -127.67 145.32 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.762 ' CG ' HG12 ' A' ' 69' ' ' VAL . 86.7 mtp -123.89 -31.38 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -65.24 -11.28 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -111.57 24.93 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 86.8 t -153.32 127.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -59.01 157.78 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 70.9 mm-40 -109.75 -21.39 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.63 -23.0 48.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -129.43 -29.9 2.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 68' ' ' TRP . . . 81.83 23.85 56.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -87.47 159.03 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.99 130.96 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.68 -21.85 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.8 t70 -132.99 75.93 71.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.16 17.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.665 2.244 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 68.8 m-80 -78.34 -47.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 101' ' ' ASN . 1.9 m-80 73.29 42.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -107.08 -17.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.441 HD13 ' CG ' ' A' ' 99' ' ' ASP . 4.0 mp -76.67 -61.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -45.0 -28.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.9 tp10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.828 ' N ' ' HG ' ' A' ' 38' ' ' CYS . 32.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.563 0.696 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.81 174.94 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -66.04 145.66 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 60.63 26.0 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.9 m -90.28 139.18 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -105.68 130.49 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -151.29 162.74 40.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 18.5 tt0 -100.15 128.6 46.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.6 157.15 23.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.545 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.24 145.54 27.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -72.63 125.26 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.72 -24.86 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -148.09 138.16 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 58.9 t -121.03 123.97 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.7 p -126.19 160.36 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.52 1.65 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -124.94 5.51 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.38 32.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.91 146.94 31.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.34 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 43' ' ' LEU . 10.1 m-85 -93.14 134.23 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 69' ' ' VAL . 16.3 mm -120.46 128.5 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -82.78 123.6 29.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 19' ' ' PHE . 58.8 mt -82.95 130.65 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.94 41.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.17 -17.98 8.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.828 ' HG ' ' N ' ' A' ' 12' ' ' LEU . 1.9 t -115.68 168.67 9.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 mtm105 -103.94 -36.01 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 12' ' ' LEU . 5.5 mmtp -66.48 142.81 57.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -113.11 164.26 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.41 151.13 17.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 32' ' ' PHE . 24.6 tp -103.17 134.57 46.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.7 t -104.09 111.45 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.16 147.79 15.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB2' HG11 ' A' ' 54' ' ' VAL . 2.7 ptm180 -59.31 -33.25 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -68.23 -32.8 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -85.09 -19.92 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 mtp -62.08 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -126.06 164.26 21.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 m -49.91 -69.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -134.58 -66.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -67.7 127.42 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 46' ' ' ARG . 4.6 t -121.07 82.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -70.83 -54.24 12.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 36.8 mtmt -149.13 104.93 3.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.71 -18.05 37.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 11.3 t -82.47 -9.85 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -99.39 -14.72 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -78.94 -30.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.6 m -143.48 175.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -161.68 141.28 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.87 120.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.48 -23.83 11.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -82.33 128.26 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 20' ' ' GLN . 26.8 tttt -94.45 133.11 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG21 ' HE3' ' A' ' 87' ' ' MET . 18.3 m -141.18 170.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 93.9 m95 -101.22 133.27 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' CG ' ' A' ' 87' ' ' MET . 19.9 m -131.82 159.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -127.52 134.76 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.849 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.1 tp -68.84 133.74 48.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -118.4 -24.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.49 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.849 ' HB3' HD21 ' A' ' 71' ' ' LEU . 18.0 ptt180 -119.76 125.56 48.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -142.28 123.94 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -116.92 114.12 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -116.7 146.46 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.47 -13.93 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.35 -31.94 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -175.61 157.07 2.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 ' HE2' ' A' ' 40' ' ' LYS . 86.2 mt -112.25 132.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -120.64 128.93 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.89 127.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -117.04 128.45 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' HB2' HG22 ' A' ' 44' ' ' VAL . 59.2 mt -122.83 158.65 29.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -131.22 148.23 52.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.669 ' CG ' HG12 ' A' ' 69' ' ' VAL . 58.9 mtp -120.9 -27.97 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' HG13 ' A' ' 89' ' ' VAL . 7.7 pttp -63.69 -26.03 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG13 ' HG3' ' A' ' 88' ' ' LYS . 30.7 m -96.97 11.26 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.6 142.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.04 130.24 34.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -88.81 51.06 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.7 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.1 p -120.38 -22.4 6.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 29.35 50.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.23 144.57 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 109.19 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.85 -37.4 55.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 89' ' ' VAL . 7.8 m-20 -117.82 75.81 10.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.68 -11.28 30.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -70.99 -34.37 71.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 4.8 m-80 56.16 38.46 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.87 -21.73 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -75.78 -48.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.505 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -54.45 -23.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 40' ' ' LYS . 21.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.649 0.737 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.6 Cg_endo -69.74 -177.61 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.392 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.13 173.07 8.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.879 ' HA ' HD23 ' A' ' 71' ' ' LEU . 20.4 tp -67.1 142.62 57.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 64.41 26.72 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -88.38 136.04 33.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.0 mt -103.68 127.79 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 9.5 p90 -151.13 159.16 44.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 13.3 tt0 -94.93 123.59 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 163.99 22.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.45 141.38 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.59 131.98 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -119.5 -22.19 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 ttt -147.99 139.28 23.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -122.51 124.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -129.93 160.94 32.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.31 -2.93 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -120.05 10.77 11.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.21 -173.42 24.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.41 151.26 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 43' ' ' LEU . 6.5 m-85 -92.97 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.6 mm -118.22 123.18 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 37.7 mttt -74.97 133.2 41.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 40' ' ' LYS . 63.1 mt -90.01 131.93 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.41 16.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 -37.5 2.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 99.7 m -78.02 -178.52 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -115.08 -46.87 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HB3' HD21 ' A' ' 12' ' ' LEU . 14.7 tppt? -73.64 152.9 40.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mp0 -116.27 166.92 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.997 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.15 154.47 16.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -102.36 137.78 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 85' ' ' LEU . 73.0 t -111.23 102.49 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.89 153.15 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' THR . 11.4 ptt180 -59.4 -32.26 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 13.4 p -64.5 -29.38 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -90.92 -31.93 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 mtp -44.21 -32.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 t -157.48 146.91 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -63.05 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -53.81 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmt-85 -60.45 169.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 100.0 t -144.09 133.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.55 -36.17 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 mtmt -148.97 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.7 Cg_endo -69.78 -19.15 36.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.1 p -74.09 -3.61 30.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -108.41 -5.35 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt -93.99 -47.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.37 169.87 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' VAL . 2.3 m-20 -157.81 136.12 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . 99.5 t -37.43 119.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.86 -27.57 7.43 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.549 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -79.09 127.19 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 15.1 ttpp -100.2 132.43 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG21 ' CE ' ' A' ' 87' ' ' MET . 19.3 m -141.21 170.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.4 m95 -92.29 141.3 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 87' ' ' MET . 2.8 m -138.02 162.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' CE ' HG21 ' A' ' 89' ' ' VAL . 9.3 ttpp -134.92 125.29 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 74' ' ' ARG . 9.2 tp -60.14 129.76 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 105' ' ' ILE . 6.1 pt -113.9 -26.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.48 108.79 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.897 ' HB3' HD21 ' A' ' 71' ' ' LEU . 10.4 ptt85 -117.46 136.19 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -147.11 123.91 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 ttt -116.29 114.13 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -116.33 143.56 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -59.0 -13.64 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 10.6 t70 -101.98 -28.85 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 12.8 mtp180 -167.44 157.1 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.31 130.87 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 129.04 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.5 t -131.32 127.86 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -120.66 132.35 55.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 71' ' ' LEU . 29.5 mt -123.82 159.01 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.513 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -121.68 152.06 39.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' HG21 ' A' ' 67' ' ' VAL . 80.5 mtp -124.04 -23.87 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -79.02 -21.25 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 70' ' ' LYS . 16.3 m -99.64 28.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -150.74 128.87 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -61.04 136.99 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 87' ' ' MET . 35.7 mm-40 -100.99 48.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.03 -40.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.3 p -117.87 -25.28 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.85 30.84 30.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -91.36 134.44 34.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.17 130.03 44.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 mt -101.58 -26.17 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.425 ' CG ' ' HB ' ' A' ' 89' ' ' VAL . 28.0 p-10 -120.07 76.41 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.288 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -102.86 -38.51 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 68.93 50.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -32.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.611 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -65.45 -51.94 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.56 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -52.2 -23.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.7 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 81.1 p -84.16 117.33 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 46.7 m -86.82 120.01 27.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 172.51 155.35 11.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 60.2 m -78.32 148.03 33.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.7 t -105.63 -47.55 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -170.72 140.81 6.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.72 -25.47 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -112.46 101.71 9.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -95.01 144.94 25.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 133.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -131.25 133.96 25.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 0.0 110.812 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -174.0 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -101.34 97.6 8.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.2 p -111.96 169.74 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 tpp -52.65 -27.54 17.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -93.71 58.44 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -84.13 -40.55 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 mt -47.85 155.25 0.85 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.0 Cg_endo -69.74 169.53 18.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.735 2.29 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.66 171.02 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.953 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.7 tp -66.74 140.49 57.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 60.71 27.64 17.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.9 m -89.64 141.08 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 97' ' ' ASP . 78.2 mt -103.39 131.39 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.6 p90 -150.72 170.56 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -109.07 122.97 48.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.66 163.61 24.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -108.16 147.75 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' CD1' ' A' ' 33' ' ' ILE . 34.4 t -73.9 127.33 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.11 -25.2 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.9 ttt -146.62 140.35 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.1 124.53 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.1 p -126.11 160.91 28.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -126.6 8.72 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.51 -169.04 30.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.61 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 43' ' ' LEU . 24.0 m-85 -93.06 135.95 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 23' ' ' VAL . 42.0 mm -121.15 140.9 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -95.75 122.09 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 36' ' ' PRO . 39.7 mt -85.07 137.6 37.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.6 Cg_endo -69.8 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.36 48.59 4.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -138.29 -175.45 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -122.37 -29.71 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -114.72 158.48 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -109.63 151.99 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.42 156.63 17.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.8 tp -110.87 138.62 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 85' ' ' LEU . 76.6 t -113.87 100.72 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.53 153.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -60.47 -32.3 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.8 p -63.52 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.2 -22.68 17.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.0 mtp -50.86 -33.52 24.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 54' ' ' VAL . 4.3 t -154.98 129.91 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -51.51 -58.12 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.5 p -59.76 -177.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -62.46 132.87 53.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 50' ' ' SER . 98.4 t -111.75 111.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.67 -41.18 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 68.6 mttt -133.63 88.41 33.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.7 Cg_endo -69.87 -17.77 36.87 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.1 p -75.72 -5.03 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -110.23 -16.42 13.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.4 -41.68 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 170.36 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.93 137.72 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -38.9 125.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.47 -17.87 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.77 136.27 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HD3' ' CD ' ' A' ' 20' ' ' GLN . 17.6 ttmm -103.28 131.92 49.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG21 ' CE ' ' A' ' 87' ' ' MET . 30.5 m -141.07 170.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.521 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.8 m95 -98.52 132.18 44.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.786 HG12 ' HG2' ' A' ' 87' ' ' MET . 32.9 m -132.32 158.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -129.45 128.18 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.953 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.3 tp -61.53 127.7 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.22 -25.42 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 118.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.457 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HB3' HD21 ' A' ' 71' ' ' LEU . 13.9 ptm180 -120.6 125.06 46.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.736 0.303 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.11 124.04 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -116.82 113.99 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -117.99 146.16 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.61 -13.86 11.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.02 -29.32 13.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 3.5 ptm85 -175.55 157.04 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.0 mt -116.71 130.8 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -117.75 128.98 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.45 127.8 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -116.3 128.08 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.438 HD23 HD12 ' A' ' 71' ' ' LEU . 62.5 mt -120.82 152.35 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 89' ' ' VAL . 2.0 m -126.5 149.64 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.786 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.7 mtp -123.69 -29.34 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.94 -10.7 22.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 86' ' ' SER . 23.5 m -111.73 13.14 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG11 ' HB3' ' A' ' 68' ' ' TRP . 54.0 t -138.22 131.2 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.68 167.52 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -118.4 -11.89 9.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.35 -34.21 7.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 p -126.24 -32.18 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.67 15.47 54.69 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -76.04 146.07 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 30.1 t0 -59.87 131.87 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.3 mt -107.37 -17.95 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -130.45 75.76 78.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -2.02 9.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.427 ' HB3' HG23 ' A' ' 103' ' ' VAL . 77.7 m-20 -88.86 -41.13 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 64.07 43.4 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 101' ' ' ASN . 48.9 t -102.39 -37.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.724 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -61.76 -41.74 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.506 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.5 pp -57.35 -20.13 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -93.16 121.91 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -54.16 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.84 13.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 143.68 51.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.2 t -162.38 166.5 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.1 t -89.86 158.92 17.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.788 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 82.8 p -130.53 -40.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 89.8 p -113.05 84.31 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 163.84 -179.31 38.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 68.1 m -105.61 122.85 46.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.9 p -109.51 129.11 55.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 1' ' ' MET . . . -125.27 -62.58 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.529 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 0' ' ' GLY . 75.9 mmm -37.95 -50.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -38.71 126.22 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 p -99.86 105.79 17.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.38 152.74 10.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.3 144.03 24.23 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 165.42 31.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.58 105.99 0.5 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -129.96 160.86 32.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.428 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 8.4 ttt -49.52 94.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -112.06 25.87 11.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.7 -46.57 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.73 156.1 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.75 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.277 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.19 171.76 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.4 tp -66.34 140.54 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 64.37 26.73 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -90.99 135.11 33.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.8 mt -101.21 127.64 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.7 p90 -149.37 164.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -101.0 129.18 46.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.73 163.68 25.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -110.58 140.65 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -67.68 129.68 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.65 -21.99 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.548 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.1 ttt -147.98 139.1 23.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.93 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.1 p -124.71 160.36 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -72.52 1.4 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -126.59 9.75 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.97 -169.81 30.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.98 148.97 34.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 28.6 m-85 -93.2 129.57 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.5 mm -112.79 132.36 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -84.79 125.7 32.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.58 HG12 ' CE1' ' A' ' 19' ' ' PHE . 45.9 mt -88.41 136.03 32.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.646 0.736 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.2 Cg_endo -69.68 135.02 29.58 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.68 72.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.5 m -133.37 172.71 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -110.74 -42.62 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 9' ' ' MET . 2.4 mmmp? -86.85 155.04 20.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -117.1 168.52 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 153.62 16.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.18 132.93 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 85' ' ' LEU . 78.5 t -106.09 100.53 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.16 153.45 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -61.28 -31.08 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.6 p -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -95.58 -22.81 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.2 mtp -50.15 -37.81 36.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 27.6 t -152.97 -179.58 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' OG ' ' A' ' 50' ' ' SER . 94.7 p -108.92 -41.76 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.804 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.97 -174.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -59.97 105.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 40.7 t -90.38 124.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.49 -57.75 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.04 90.3 7.7 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.92 33.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.747 2.298 . . . . 0.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -81.38 -17.22 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.02 -10.36 28.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.5 mt -81.28 -32.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.63 170.69 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.28 136.16 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -41.68 121.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.62 -22.23 13.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.92 126.39 32.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.2 ttpp -93.28 132.04 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.08 169.37 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.464 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.7 m95 -98.82 140.81 32.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG3' ' A' ' 87' ' ' MET . 5.4 m -140.04 164.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -133.6 123.07 24.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.968 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.0 tp -60.54 130.8 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -115.34 -24.49 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.47 109.69 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.968 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.2 ptm180 -113.09 126.77 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -137.27 123.9 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.0 ttt -118.11 114.1 22.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -115.01 141.84 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -59.34 -13.72 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 18.6 t0 -101.31 -28.61 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 16.1 mtp180 -166.84 157.08 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.15 129.77 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -130.87 129.06 41.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 71' ' ' LEU . 59.7 t -126.58 129.08 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -111.18 129.47 55.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 71' ' ' LEU . 29.4 mt -125.16 154.9 40.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 89' ' ' VAL . 11.8 t -116.76 151.1 37.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG3' HG12 ' A' ' 69' ' ' VAL . 71.8 mtp -122.35 -35.22 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -67.14 -21.62 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.642 HG22 ' OG ' ' A' ' 86' ' ' SER . 33.2 m -100.54 26.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 22.3 t -148.21 130.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -67.07 132.21 47.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -95.25 43.74 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.04 -34.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 p -125.65 -25.09 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.78 31.69 32.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -96.06 136.39 36.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -55.39 119.39 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.3 -33.46 16.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.04 79.17 42.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.712 0.768 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.0 35.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.733 2.289 . . . . 0.0 112.356 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 -38.48 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.61 49.21 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.01 -35.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.2 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -62.23 -49.08 85.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.06 -21.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -83.93 92.38 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 62.2 p -119.69 149.35 42.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.82 -99.28 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.63 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.364 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.7 p -167.53 166.13 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 t -82.69 157.26 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 93.5 p -170.2 162.29 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.792 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.3 p -112.16 167.58 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 57.16 101.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.3 t -94.74 -59.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.6 t -133.16 142.08 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.46 81.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.23 33.99 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -72.11 133.61 45.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -81.25 -55.5 4.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.21 -119.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -147.89 144.24 18.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.464 ' CD ' ' HB2' ' A' ' 14' ' ' ALA . 54.0 Cg_endo -69.73 136.24 32.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -107.93 103.45 12.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 9' ' ' MET . 1.9 t -115.96 176.53 5.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.443 ' N ' ' OG1' ' A' ' 8' ' ' THR . 4.8 ptp -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' THR . 19.7 mt-10 -115.0 168.09 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -93.29 22.71 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt -64.71 151.9 91.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.3 Cg_endo -69.85 -173.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.274 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' HB2' ' CD ' ' A' ' 6' ' ' PRO . . . -94.86 -179.37 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.735 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.5 tp -68.97 147.2 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 55.19 26.35 8.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -91.14 132.91 35.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.546 HD11 ' OD2' ' A' ' 97' ' ' ASP . 73.1 mt -101.21 139.07 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 10.1 p90 -154.6 164.13 39.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 10.5 tt0 -98.42 120.59 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' HD3' ' A' ' 66' ' ' LYS . . . -131.55 162.43 23.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.08 140.93 41.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.09 133.42 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -117.7 -23.25 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.29 140.29 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.91 124.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.596 HG21 ' OH ' ' A' ' 29' ' ' TYR . 71.3 p -130.24 162.5 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -72.8 -0.67 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' OH ' HG21 ' A' ' 27' ' ' THR . 13.0 p90 -118.34 6.33 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.85 -167.26 27.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.73 149.18 40.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 43' ' ' LEU . 37.6 m-85 -95.77 124.47 39.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.41 131.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 35.1 mtmt -86.85 125.77 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 36' ' ' PRO . 54.0 mt -86.32 135.63 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.708 0.765 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.7 Cg_endo -69.78 129.94 18.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.35 23.63 75.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.7 t -132.58 167.94 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -111.49 -19.67 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.76 151.2 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -118.7 153.88 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.09 149.39 17.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -99.46 140.24 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 54.5 t -113.75 103.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -49.59 151.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 54' ' ' VAL . 6.8 ptt-85 -60.04 -34.44 73.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 47' ' ' THR . 2.8 p -63.27 -25.59 68.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -95.52 -25.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.1 mtp -48.34 -44.54 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -146.36 156.53 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.01 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -60.12 113.66 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 46' ' ' ARG . 61.0 t -86.65 110.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -118.4 -55.22 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 81.76 1.51 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -13.16 34.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -89.04 -11.34 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -99.1 -11.46 21.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.1 mt -83.71 -34.16 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.81 172.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -156.26 168.4 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.44 115.5 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.35 -19.4 9.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -85.69 127.6 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 tppp? -87.44 134.92 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.12 157.4 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.4 m95 -93.09 139.31 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 87' ' ' MET . 2.6 m -143.89 159.37 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 89' ' ' VAL . 24.5 pttt -131.38 133.06 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.967 HD21 ' CG ' ' A' ' 74' ' ' ARG . 20.1 tp -60.83 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.5 pt -112.95 -24.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.96 137.5 4.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.967 ' CG ' HD21 ' A' ' 71' ' ' LEU . 31.0 mtp180 -111.4 124.56 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' LYS . 44.0 mm-40 -142.83 123.74 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -118.09 128.81 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 152.53 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.06 -13.81 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.43 -31.17 12.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -176.06 157.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -87.74 134.44 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLU . 14.8 mmmt -117.66 128.92 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -123.7 128.9 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.538 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.3 m -100.75 125.59 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 59.9 mt -124.7 152.8 43.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 89' ' ' VAL . 48.3 t -121.12 150.1 41.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 77.9 mtp -122.4 -37.62 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -66.63 -11.4 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.831 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -107.32 18.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 68' ' ' TRP . 10.1 t -145.47 142.1 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -72.76 127.31 32.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.22 48.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.41 -39.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -117.32 -20.93 8.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 111.165 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.509 ' HA2' ' CG ' ' A' ' 68' ' ' TRP . . . 80.8 25.56 55.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -94.2 133.71 37.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.546 ' OD2' HD11 ' A' ' 18' ' ' ILE . 3.3 t70 -57.29 125.07 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.1 mt -90.01 -29.78 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 1.6 t70 -129.51 77.18 77.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.696 0.76 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.14 6.44 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -82.39 -25.55 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 48.76 50.76 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.4 p -112.78 -19.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.437 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.1 mp -77.37 -47.53 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.462 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -55.6 -21.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -86.97 -58.3 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -78.94 105.9 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.2 -88.61 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.559 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 173.55 10.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.7 t -146.47 126.96 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -167.44 159.56 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 60.1 p -138.46 154.87 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.7 t -133.92 172.95 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.97 114.79 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 72.1 m -161.95 145.89 12.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.9 t -128.01 138.23 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 160.39 163.36 13.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt -133.16 130.1 38.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -115.36 106.87 14.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -128.26 159.44 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.63 104.69 2.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -102.28 149.77 36.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.4 p -69.54 161.35 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.1 tpt -49.11 -45.48 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.81 170.49 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -87.22 29.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 40' ' ' LYS . 53.2 mt -56.73 151.43 31.64 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.626 0.727 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.81 178.78 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.312 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.11 175.51 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD23 ' A' ' 71' ' ' LEU . 14.4 tp -67.25 143.92 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.47 25.15 15.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.7 m -86.8 150.64 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' A' ' 97' ' ' ASP . 84.0 mt -113.27 134.69 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CE1' HG23 ' A' ' 69' ' ' VAL . 10.7 p90 -155.75 160.1 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 4.0 tt0 -96.47 125.95 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 159.95 24.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -110.92 144.14 40.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.54 HG21 ' HB ' ' A' ' 61' ' ' VAL . 41.0 t -67.27 132.71 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.717 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . . . -119.58 -21.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.2 ttt -147.87 141.02 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.77 124.73 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 p -121.72 161.24 22.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.47 3.19 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -131.3 16.18 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.96 -163.3 27.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.8 152.09 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -94.37 135.34 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.1 mm -121.92 128.78 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.717 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 9.5 mtmp? -83.57 131.82 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.538 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -85.34 135.41 38.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.3 Cg_endo -69.8 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 32.24 25.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -151.99 -178.7 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -119.53 -33.9 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.16 150.6 46.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -121.92 142.99 49.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.645 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -106.63 153.05 16.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.478 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -101.62 141.15 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' SD ' ' A' ' 87' ' ' MET . 89.0 t -114.01 104.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -54.32 153.53 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.5 mtm105 -58.83 -37.26 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -59.97 -25.91 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 86' ' ' SER . 68.7 m-70 -95.33 -13.82 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.682 ' CE ' HG22 ' A' ' 61' ' ' VAL . 47.8 mtp -71.59 -28.79 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.856 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.4 m -128.18 -178.04 4.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -76.26 -61.04 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -129.75 -66.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.89 132.13 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.856 HG22 ' HB2' ' A' ' 50' ' ' SER . 22.2 t -124.69 86.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.88 -60.66 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -148.38 134.12 9.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.37 25.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.5 p -76.3 -2.48 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -106.47 -12.37 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 49' ' ' MET . 12.9 mt -95.15 -43.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 ' CE ' ' A' ' 49' ' ' MET . 5.3 m -132.41 159.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.14 142.73 24.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -45.04 116.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.44 -23.38 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.58 126.33 32.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -95.6 131.78 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.644 HG21 ' CE ' ' A' ' 87' ' ' MET . 17.8 m -141.11 170.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.2 m95 -96.97 131.5 43.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG12 ' HG2' ' A' ' 87' ' ' MET . 33.2 m -130.64 157.25 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -131.7 128.1 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 15' ' ' LEU . 10.7 tp -60.52 129.45 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 105' ' ' ILE . 17.4 pt -112.36 -28.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.1 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.762 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptm180 -120.21 129.14 53.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.55 125.34 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -112.81 114.24 26.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.83 145.22 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -59.85 -13.96 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.76 -28.97 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -175.27 156.94 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.6 mt -103.87 129.74 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -117.91 124.06 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' HA2' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -133.72 133.13 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -120.02 132.54 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' LEU . 80.6 mt -121.53 157.75 30.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 89' ' ' VAL . 3.2 p -126.91 144.45 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.2 mtp -117.07 -33.4 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -64.21 -27.87 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 86' ' ' SER . 34.8 m -92.91 22.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.0 t -148.5 124.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.23 128.88 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 87' ' ' MET . 19.3 mp0 -90.9 45.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.03 -35.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -123.36 -31.72 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.087 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.6 12.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.25 135.55 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.498 ' CB ' HD11 ' A' ' 18' ' ' ILE . 23.5 t0 -60.54 124.09 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.37 -25.14 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 15.3 p-10 -112.38 75.96 1.85 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.698 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -109.35 -37.45 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.86 44.87 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.05 -22.99 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.438 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -82.51 -40.72 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.446 HG21 HG22 ' A' ' 72' ' ' ILE . 2.6 pp -59.79 -19.85 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -93.02 91.36 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.7 t -114.13 87.39 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.86 68.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.56 7.48 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -162.96 135.58 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.7 p -124.8 160.57 28.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 91.7 p -53.55 156.13 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 23.0 t -95.45 -55.12 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.92 86.68 0.11 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.42 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.3 m -165.74 157.45 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 40.0 t -130.43 133.85 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -171.43 -117.22 0.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -143.95 156.77 44.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -139.82 152.0 46.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -99.71 146.58 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.03 152.97 20.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -84.31 142.87 41.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 166.38 27.84 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.396 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -157.06 137.23 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.0 p -49.4 -19.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 tpp -130.31 78.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 11' ' ' ASN . 10.8 pt-20 -112.45 -34.86 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' GLU . 94.4 m-20 -36.63 -43.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -49.7 145.02 8.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 177.33 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.1 tp -67.12 143.12 56.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 60.86 26.72 16.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -89.99 145.75 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 97' ' ' ASP . 62.6 mt -108.91 130.66 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 17.7 p90 -151.39 160.67 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.584 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 13.7 tt0 -100.14 125.25 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 163.89 24.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -107.55 141.37 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.551 HG22 ' CD1' ' A' ' 33' ' ' ILE . 38.3 t -67.59 130.9 33.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.41 -25.63 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.414 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 6.7 ttt -147.98 141.12 25.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.35 124.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 p -123.97 157.51 34.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.89 -0.63 9.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -126.77 12.62 7.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.08 -169.47 30.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.45 148.85 31.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 12.6 m-85 -94.61 129.52 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' CD1' HG22 ' A' ' 23' ' ' VAL . 47.9 mm -117.27 134.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -89.29 132.95 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.2 mt -90.77 137.6 26.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.3 Cg_endo -69.73 121.24 7.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.17 28.69 39.96 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -145.4 164.43 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -101.9 -42.6 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -73.61 149.16 42.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -116.16 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.92 161.64 12.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -116.54 138.93 51.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 85' ' ' LEU . 81.3 t -112.2 103.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -47.75 152.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 2.4 ppt_? -58.9 -31.04 68.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -63.85 -42.81 97.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -78.34 -26.1 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.7 mtp -54.16 -30.32 48.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -121.78 176.53 5.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -92.11 -44.37 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.8 m -131.48 -73.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.54 68.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -46.35 -57.43 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -157.94 120.62 2.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.34 30.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -76.25 -4.97 44.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -109.02 -21.48 12.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 mt -72.48 -37.79 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 6.0 m -138.97 174.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -161.89 140.18 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -43.99 125.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.91 -23.37 27.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -81.6 129.42 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 1.1 ttmp? -94.84 131.93 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.04 168.19 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 96.2 m95 -96.73 141.17 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 85' ' ' LEU . 34.0 m -140.32 159.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 90' ' ' VAL . 19.0 ttpt -130.15 128.93 42.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 15' ' ' LEU . 8.2 tp -63.49 135.57 56.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 84' ' ' SER . 5.9 pt -116.13 -33.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.39 123.58 1.3 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.578 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptt85 -111.84 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -130.75 123.98 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtp -117.39 113.98 22.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -117.38 143.29 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.85 -13.98 13.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.97 -29.96 13.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -175.15 156.78 2.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.4 mt -110.14 128.94 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -118.16 129.05 55.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 HD11 ' A' ' 71' ' ' LEU . 96.5 t -131.3 118.95 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.8 m -101.72 134.24 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.701 HD23 HD12 ' A' ' 71' ' ' LEU . 67.5 mt -126.74 158.63 35.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.558 ' CB ' HG22 ' A' ' 89' ' ' VAL . 5.9 t -116.17 147.77 41.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.531 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.0 mtp -124.44 -22.16 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -82.15 -21.89 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 86' ' ' SER . 26.0 m -97.66 9.54 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 11.5 t -129.14 129.13 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -67.16 137.79 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -98.45 47.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.57 -38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.7 p -118.94 -32.64 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.26 28.11 16.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 139.12 31.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.604 ' HB2' HD11 ' A' ' 18' ' ' ILE . 19.1 t0 -60.82 116.92 4.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.6 mt -82.64 -37.79 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.71 78.83 12.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -11.91 31.66 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.3 -44.28 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 71.51 42.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.76 -31.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.9 mp -64.19 -59.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 106' ' ' GLU . 2.6 pp -45.47 -31.6 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.2 tp10 -80.97 131.79 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -105.2 139.88 39.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 179.16 146.04 6.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 101.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -87.46 142.36 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.7 p -106.57 125.57 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 75.5 m -148.45 162.72 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 14.5 t -54.81 134.99 48.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -55.68 -66.71 2.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.1 t -111.58 104.67 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.6 p -136.38 133.9 37.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.42 -167.76 33.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttt -77.78 146.27 35.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 71.12 28.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -40.52 145.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 -109.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -117.26 89.59 31.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 102.59 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -127.01 73.53 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p -152.83 172.25 17.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ptp -123.23 52.8 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -79.79 90.06 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -101.45 -38.1 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 38' ' ' CYS . 17.7 mt -46.86 156.4 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.7 178.54 4.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.742 2.295 . . . . 0.0 112.316 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.55 174.01 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.724 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -69.11 144.06 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 61.46 25.98 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -88.4 138.45 31.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.209 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 ' CB ' ' A' ' 97' ' ' ASP . 82.2 mt -103.87 130.67 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 35' ' ' ILE . 9.2 p90 -151.01 157.98 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 19.4 tt0 -95.9 122.24 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.83 163.78 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -110.54 136.51 49.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -61.07 133.23 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.63 -23.94 8.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -147.99 140.96 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 72.0 t -120.93 123.98 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.1 p -123.51 159.95 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.44 1.49 7.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -127.68 11.43 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.28 -170.99 29.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.564 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.97 147.75 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -93.08 128.14 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 23' ' ' VAL . 37.0 mm -110.07 139.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 15.1 mtpt -95.8 126.57 41.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 36' ' ' PRO . 46.5 mt -85.42 137.21 36.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.74 120.12 6.96 Favored 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.84 44.5 24.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.501 ' SG ' HD23 ' A' ' 12' ' ' LEU . 3.1 m -141.38 -177.58 5.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -115.66 -49.8 2.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -88.5 153.77 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -109.59 160.07 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.8 147.5 17.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 tp -100.78 137.16 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 85' ' ' LEU . 71.7 t -109.92 101.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -48.66 153.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 47' ' ' THR . 15.9 ptt180 -60.54 -35.06 75.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 9.5 t -69.77 -20.89 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -95.43 -20.73 18.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 58.0 mtp -61.62 -39.09 90.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.9 t -153.72 143.57 21.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.9 t -71.92 -48.48 45.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.7 m -52.75 178.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.61 97.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 50' ' ' SER . 19.1 t -72.12 115.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.62 -54.03 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -129.92 95.76 27.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.71 33.58 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 2.4 m -77.88 -7.68 57.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.12 -14.92 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.74 -31.05 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.7 m -145.75 173.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -157.34 134.55 10.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 62' ' ' ASP . 91.6 t -35.35 121.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.11 -22.31 11.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -81.04 126.87 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 32.4 ttmt -95.95 131.98 41.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 ' CE ' ' A' ' 87' ' ' MET . 16.7 m -141.06 170.03 14.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 95.9 m95 -99.98 129.85 46.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 87' ' ' MET . 29.6 m -130.54 158.27 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.2 ttpt -126.47 134.24 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.871 HD21 ' HB3' ' A' ' 74' ' ' ARG . 6.1 tp -65.56 127.02 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.598 HG22 HG21 ' A' ' 105' ' ' ILE . 19.1 pt -110.5 -25.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.38 118.64 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.871 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.4 ptm180 -119.91 126.83 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -139.0 124.03 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.1 mtp -114.71 114.5 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -117.77 143.9 45.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.04 -13.99 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.97 -28.96 13.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -175.03 157.02 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.6 mt -112.57 131.93 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -119.34 128.92 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.32 125.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.48 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.3 m -113.11 127.41 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' HD12 ' A' ' 71' ' ' LEU . 43.6 mt -120.83 148.4 44.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.438 ' OG ' HG22 ' A' ' 89' ' ' VAL . 19.0 t -120.21 149.3 42.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.669 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.9 mtp -122.27 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.37 -22.91 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.485 HG21 ' HE2' ' A' ' 70' ' ' LYS . 32.7 m -98.93 12.54 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 70' ' ' LYS . 42.6 t -134.61 130.65 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.76 124.83 24.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -88.98 41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.29 -33.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.9 p -128.46 -28.71 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.13 28.3 15.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -91.69 138.04 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.441 ' CB ' HD11 ' A' ' 18' ' ' ILE . 17.1 t0 -62.7 116.93 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.2 mt -82.12 -21.72 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 19.4 p-10 -127.2 78.37 74.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.723 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 0.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.783 2.322 . . . . 0.0 112.278 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -98.89 -37.62 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 62.33 51.77 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.4 t -111.23 -14.47 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.35 -56.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.598 HG21 HG22 ' A' ' 72' ' ' ILE . 2.5 pp -46.52 -27.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 105' ' ' ILE . 2.9 tp10 -81.39 100.9 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 m -63.55 168.88 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 53.8 84.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 145.14 56.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.7 m -54.12 153.44 5.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.8 p -121.68 128.85 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 36.8 m -63.05 -56.78 14.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.788 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.1 m -65.73 -46.03 80.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 105.88 -78.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.7 t -131.19 166.44 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 42.3 m -103.45 111.66 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -133.21 -166.37 11.39 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt -161.21 137.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.307 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -125.8 132.86 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -60.63 145.29 49.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.27 -37.06 11.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -131.86 82.66 59.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' THR . 14.9 mt-10 63.55 38.7 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLU . 68.3 p -37.09 -52.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.4 ttp -81.52 101.74 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' CB ' ' A' ' 38' ' ' CYS . 8.9 tp10 -52.96 156.14 2.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.09 58.36 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -41.2 156.26 0.21 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.624 0.726 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 179.28 3.76 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.94 -178.54 4.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.737 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.4 tp -69.72 148.44 49.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 55.98 28.33 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.1 m -90.69 136.58 32.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 97' ' ' ASP . 93.3 mt -101.85 130.02 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 69' ' ' VAL . 7.6 p90 -149.14 159.29 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' CZ2' ' A' ' 68' ' ' TRP . 24.5 tt0 -95.34 122.15 37.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.78 159.58 22.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -109.68 134.83 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.606 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.4 t -63.54 132.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . . . -118.48 -22.08 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -147.87 139.89 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 84.4 t -124.91 125.37 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.6 p -129.66 161.1 31.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.37 0.58 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -123.24 9.81 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.09 -167.64 27.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.89 147.14 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 43' ' ' LEU . 12.8 m-85 -93.33 134.6 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.7 mm -120.77 133.97 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 24' ' ' ALA . 28.3 mttm -85.4 123.03 30.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 59.4 mt -71.79 136.52 82.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.6 Cg_endo -69.72 126.57 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.89 33.08 78.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.443 ' CB ' ' HG2' ' A' ' 10' ' ' GLU . 61.5 m -141.75 -179.39 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -114.41 -49.3 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' A' ' 81' ' ' ILE . 22.3 mmtm -71.09 151.6 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -116.89 165.33 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 145.92 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.7 tp -96.27 138.9 33.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.5 t -112.95 106.69 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.408 ' HB3' HG22 ' A' ' 47' ' ' THR . 5.4 t-160 -53.61 148.33 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.847 ' O ' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.92 -31.37 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 45' ' ' HIS . 14.7 t -66.43 -29.46 69.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -87.93 -16.11 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.2 mtp -72.83 -47.3 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' VAL . 1.3 m -107.11 170.82 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -53.17 -69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.9 t -128.19 -71.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -77.81 137.56 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.847 HG21 ' O ' ' A' ' 46' ' ' ARG . 12.1 t -128.06 87.4 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.61 -68.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 18.3 mmtm -133.41 96.91 16.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.5 Cg_endo -69.82 -12.86 33.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.276 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 60.8 p -78.44 -7.76 57.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.08 -4.09 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.2 mt -87.27 -32.79 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 23.0 m -133.59 -175.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -161.97 139.8 8.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -49.82 119.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.7 -20.67 10.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.61 131.93 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -94.74 135.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 m -141.23 169.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 97.7 m95 -99.74 130.52 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 19' ' ' PHE . 29.7 m -129.78 156.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.6 ttpp -128.77 126.94 41.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 15' ' ' LEU . 7.7 tp -59.51 127.78 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.552 HG21 ' HB2' ' A' ' 86' ' ' SER . 14.1 pt -111.55 -23.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.77 125.56 1.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 71' ' ' LEU . 15.1 ptt85 -118.38 130.0 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.39 125.8 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.6 mtm -114.39 115.02 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 147.53 26.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.9 -13.83 12.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.26 156.88 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.714 HD12 ' HE2' ' A' ' 40' ' ' LYS . 96.8 mt -94.98 130.45 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -115.47 129.08 56.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG13 HD11 ' A' ' 71' ' ' LEU . 60.1 t -131.28 127.7 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -112.12 129.46 56.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.775 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.8 mt -122.62 161.82 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.552 ' HB2' HG21 ' A' ' 72' ' ' ILE . 33.4 t -128.48 149.62 50.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.566 ' CG ' HG12 ' A' ' 69' ' ' VAL . 73.2 mtp -124.35 -33.19 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -63.15 -15.99 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG22 ' OG ' ' A' ' 86' ' ' SER . 32.7 m -104.82 1.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 21.4 t -128.07 132.38 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.64 142.7 42.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 25.2 mp0 -99.24 -11.6 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.07 -29.56 22.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -127.96 -40.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.24 30.61 8.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -99.64 148.31 24.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 18' ' ' ILE . 27.0 t0 -62.49 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.6 mt -97.78 -34.22 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -119.99 76.16 22.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -11.17 30.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -76.14 -32.89 59.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 54.9 47.65 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 103' ' ' VAL . 63.4 t -112.63 -9.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.95 -47.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.549 HG21 HG22 ' A' ' 72' ' ' ILE . 2.3 pp -53.31 -23.17 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' N ' HD12 ' A' ' 105' ' ' ILE . 55.0 mt-10 -76.75 118.02 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 t -47.98 -64.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.56 -167.14 20.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.5 Cg_endo -69.79 -27.26 26.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' PRO . 48.0 t -38.02 112.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.816 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.9 p -108.27 158.21 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.774 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.6 m -83.2 139.72 32.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 57.7 m -131.55 42.16 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -169.46 172.91 43.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 m -166.85 168.41 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.7 p -173.11 170.8 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 174.7 97.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmm -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -126.96 171.6 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 m -71.16 163.88 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.75 140.55 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 6' ' ' PRO . 30.3 ttp180 -61.97 139.26 95.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' THR . 53.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -41.33 92.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -134.17 166.17 23.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.2 tpp -76.23 85.47 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' ASN . 13.1 pt-20 -38.28 -48.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 3.0 t-20 -39.22 -48.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.85 155.95 81.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.685 0.755 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 53.8 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.83 174.64 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.4 tp -67.21 142.8 56.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 62.55 26.61 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -87.48 135.8 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -101.67 127.82 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CE1' HG12 ' A' ' 35' ' ' ILE . 14.6 p90 -149.55 163.63 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.9 tt0 -101.89 124.48 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.59 159.11 23.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -103.43 142.11 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -68.6 125.17 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.12 -22.85 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 ttt -148.0 140.38 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 61' ' ' VAL . 53.5 t -121.88 124.08 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.45 HG21 ' CZ ' ' A' ' 29' ' ' TYR . 52.3 p -128.74 163.48 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' CZ ' HG21 ' A' ' 27' ' ' THR . 26.1 p90 -119.51 8.48 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.92 -170.16 25.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.23 151.05 43.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -93.45 128.99 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 23' ' ' VAL . 49.9 mm -114.6 125.26 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -83.12 124.27 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 36' ' ' PRO . 49.2 mt -79.92 138.07 53.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.82 129.27 17.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.95 33.44 70.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -138.71 178.45 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -113.14 -53.15 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -75.12 153.98 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -115.26 164.86 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -119.93 153.33 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.88 136.08 45.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.1 t -110.32 115.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.622 ' ND1' HG22 ' A' ' 47' ' ' THR . 6.0 t-160 -53.69 142.37 23.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' THR . 12.4 ptt-85 -59.8 -31.54 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.622 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.0 t -77.87 -16.72 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 88' ' ' LYS . 22.8 m-70 -92.9 -27.63 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 61' ' ' VAL . 13.3 mtm -54.93 -41.01 70.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.68 145.4 51.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -64.59 -64.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.22 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -64.62 133.38 52.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -114.41 140.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.86 -30.18 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -132.27 83.32 55.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -21.56 33.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.27 . . . . 0.0 112.409 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 m -69.57 -9.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -106.88 -11.38 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.0 mt -84.57 -39.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 26' ' ' VAL . 2.9 m -128.22 155.64 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.054 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -148.22 137.38 21.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.55 118.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.11 -21.42 9.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.42 135.72 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 17.3 ttpt -100.64 132.4 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -141.02 167.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' HB3' HG11 ' A' ' 90' ' ' VAL . 96.8 m95 -98.97 135.71 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.97 HG12 ' HG2' ' A' ' 87' ' ' MET . 10.8 m -136.72 161.28 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.722 ' CE ' HG21 ' A' ' 89' ' ' VAL . 11.6 ttpp -130.73 130.28 43.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.843 HD21 ' HB3' ' A' ' 74' ' ' ARG . 7.5 tp -62.64 126.53 27.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.3 pt -110.93 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.46 119.3 0.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.843 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.0 ptm180 -119.3 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.814 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -139.87 124.25 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -116.65 114.14 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -117.21 146.13 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.63 -13.98 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.87 -29.69 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -175.28 157.0 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.75 123.94 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -108.55 127.63 54.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.06 126.47 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -120.32 133.86 55.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.784 ' HB2' HG22 ' A' ' 44' ' ' VAL . 5.7 mt -126.68 160.48 30.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 p -131.71 149.4 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.97 ' HG2' HG12 ' A' ' 69' ' ' VAL . 51.3 mtp -123.44 -15.06 7.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HD3' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -71.94 -18.08 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.722 HG21 ' CE ' ' A' ' 70' ' ' LYS . 30.8 m -102.75 3.52 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.507 HG11 ' HB3' ' A' ' 68' ' ' TRP . 60.1 t -130.97 129.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 98' ' ' LEU . 5.8 t-20 -64.49 162.85 14.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -112.02 -29.74 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.75 -28.19 73.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 p -134.87 -39.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 18.16 19.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -81.28 145.3 30.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.01 137.87 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 91' ' ' ASN . 55.5 mt -111.89 -24.25 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -133.37 81.01 56.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -2.71 10.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.5 t-20 -80.44 -30.3 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.7 OUTLIER 48.41 40.37 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 101' ' ' ASN . 62.2 t -108.93 -34.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.729 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.4 mp -53.72 -42.38 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.4 pp -52.7 -25.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.66 92.7 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.8 m -95.88 -55.06 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.86 96.15 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.73 3.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.4 t -80.48 100.36 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.7 t -136.4 138.47 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.8 t -57.36 92.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 66.5 m -101.27 155.54 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -152.06 125.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.7 t -75.67 -51.18 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 26.6 t -89.74 -47.49 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -89.79 88.85 1.5 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt -89.39 101.83 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 57.94 45.69 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -141.11 116.13 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.47 98.26 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -137.8 140.73 30.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.57 60.46 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.616 2.211 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -110.23 76.31 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.4 p -134.59 -175.68 3.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.11 50.93 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 pt-20 -43.87 -38.74 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.1 m-20 -37.35 -48.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.17 153.28 71.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.8 Cg_endo -69.81 167.77 23.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.263 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.19 176.91 9.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.8 tp -66.92 143.74 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.62 28.01 16.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -89.16 137.53 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.06 128.86 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 35' ' ' ILE . 18.4 p90 -151.48 159.78 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 16.7 tt0 -98.07 128.78 44.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.21 164.02 25.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.63 138.05 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -65.17 129.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.49 -22.06 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 5.2 ttt -147.6 138.52 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.02 123.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.3 p -126.25 160.76 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 2.13 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -125.58 10.12 7.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.39 -168.05 28.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.03 151.22 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 5.7 m-85 -95.29 126.19 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.0 mm -112.32 118.65 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -77.44 130.7 37.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 36' ' ' PRO . 40.8 mt -88.18 137.64 31.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 0.0 111.138 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.8 128.16 15.6 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 35.08 61.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.5 m -139.14 176.97 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -116.63 -30.44 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HE2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.26 156.3 31.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.03 160.21 13.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.59 139.33 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.375 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 85' ' ' LEU . 79.0 t -112.12 110.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.18 152.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 47' ' ' THR . 7.9 ptt-85 -60.57 -35.85 77.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 5.3 t -67.84 -24.15 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.593 ' CD2' ' HE2' ' A' ' 88' ' ' LYS . 14.0 m80 -95.08 -19.58 20.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.435 ' CE ' HG22 ' A' ' 61' ' ' VAL . 41.7 mtp -59.88 -25.55 65.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -169.56 147.19 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -75.79 -51.39 12.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.17 177.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 18.9 ttm105 -60.75 101.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.652 HG13 HD11 ' A' ' 60' ' ' ILE . 92.4 t -75.86 97.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.1 -46.9 17.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -152.35 126.1 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 54.1 Cg_endo -69.68 -13.38 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.774 2.316 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.3 p -74.25 -25.32 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.33 -7.14 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.652 HD11 HG13 ' A' ' 54' ' ' VAL . 32.6 mt -85.12 -35.15 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CE ' ' A' ' 49' ' ' MET . 27.2 m -153.68 179.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.55 138.36 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 23' ' ' VAL . 90.1 t -40.68 114.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.77 -23.6 6.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 137.05 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 34.1 ttpt -101.76 131.92 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.494 HG21 ' CE ' ' A' ' 87' ' ' MET . 36.0 m -140.95 169.97 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -98.58 133.83 42.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.745 HG12 ' HG2' ' A' ' 87' ' ' MET . 27.5 m -136.04 156.55 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -130.15 126.47 37.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 74' ' ' ARG . 11.4 tp -59.41 128.91 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.53 ' CG2' HG21 ' A' ' 105' ' ' ILE . 9.7 pt -110.38 -29.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.98 109.96 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.892 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptm180 -111.88 129.85 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -134.99 123.77 23.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt -118.32 113.94 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -116.72 144.38 44.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -13.75 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 15.0 m-20 -98.16 -31.5 12.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 28.0 mtp180 -167.18 157.14 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 ' HE2' ' A' ' 40' ' ' LYS . 85.9 mt -118.68 127.0 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -123.75 128.96 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 71' ' ' LEU . 58.9 t -127.98 129.1 69.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -112.89 131.28 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.829 HD23 HD12 ' A' ' 71' ' ' LEU . 60.6 mt -125.01 151.5 45.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' HG21 ' A' ' 72' ' ' ILE . 16.8 p -121.3 151.27 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.745 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.8 mtp -126.06 -27.79 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.593 ' HE2' ' CD2' ' A' ' 48' ' ' HIS . 63.7 pttt -69.03 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 86' ' ' SER . 27.8 m -111.85 28.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.408 HG11 ' HB3' ' A' ' 68' ' ' TRP . 38.7 t -149.76 131.58 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.95 131.68 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -93.21 38.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -143.27 -43.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.1 p -118.98 -23.68 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.83 21.98 51.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -82.58 136.58 34.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.66 121.89 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.73 -28.38 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t70 -125.06 79.46 65.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.07 4.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.44 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 0.9 OUTLIER -90.87 -34.18 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.6 OUTLIER 47.55 51.5 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.0 -21.61 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -61.75 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.576 HG22 ' NE2' ' A' ' 48' ' ' HIS . 2.7 pp -54.85 -23.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -77.95 96.22 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.2 p -133.58 120.35 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.38 78.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 146.47 60.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.1 p -117.24 -42.53 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m 61.43 41.95 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.2 m -108.1 108.51 19.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.1 t -116.66 -47.73 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 130.85 174.87 13.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.2 m -81.55 119.74 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.794 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.2 t -63.36 150.97 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.81 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -82.09 164.49 44.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.3 mtp -54.21 120.49 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -77.57 156.0 31.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -115.87 85.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' ARG . . . -174.96 165.51 36.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' GLY . 12.3 ttt85 -33.91 97.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' GLY . 54.2 Cg_endo -69.78 130.08 18.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -78.34 104.37 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 p -81.89 135.56 35.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -65.38 166.72 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' MET . 42.2 mt-10 -34.68 142.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -83.37 49.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.49 152.53 92.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.7 Cg_endo -69.78 169.02 19.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.247 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 174.92 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.2 tp -65.28 140.77 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 20.0 m-85 62.99 28.02 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.6 m -90.08 135.8 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -101.31 130.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 11.2 p90 -151.55 160.2 43.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 4.2 tt0 -96.39 127.07 42.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.12 161.44 25.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -108.31 141.06 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 33' ' ' ILE . 41.7 t -67.47 133.35 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.96 -23.72 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.1 ttt -145.43 140.52 27.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -124.58 125.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 31.5 p -129.78 162.11 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.05 0.02 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 39.7 p90 -119.42 1.02 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.26 -163.12 30.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.32 147.98 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 43' ' ' LEU . 58.9 m-85 -93.69 135.3 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' HG22 ' A' ' 23' ' ' VAL . 24.6 mm -120.96 127.83 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 26.3 mtmt -81.22 128.28 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 61.3 mt -85.8 136.06 37.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.74 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.15 11.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.426 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -156.39 174.86 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -111.27 -44.31 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -74.01 143.92 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 24.4 mt-30 -117.01 154.71 30.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.0 160.81 15.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.9 tp -111.56 134.77 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 85' ' ' LEU . 92.7 t -107.06 108.5 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.64 149.35 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.02 -31.15 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -67.25 -31.86 72.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CD2' ' HE3' ' A' ' 88' ' ' LYS . 73.6 m80 -90.63 -28.46 18.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.3 mtp -44.17 -33.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 54' ' ' VAL . 32.5 t -154.19 160.87 42.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t -84.85 -50.14 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.03 178.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 13.8 ttm105 -60.01 108.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.6 t -88.72 110.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -111.46 -35.56 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 45.2 mttp -133.37 88.95 33.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.9 Cg_endo -69.78 -20.64 34.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -73.09 -12.12 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -102.56 -6.15 23.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.42 -39.7 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.05 167.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.19 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.09 139.61 20.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.0 116.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.66 -18.86 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -86.56 136.9 32.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 25.0 ttpt -100.11 131.91 45.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.1 m -141.04 170.09 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -100.23 129.9 46.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG2' ' A' ' 87' ' ' MET . 24.3 m -128.59 161.92 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.2 ttpp -134.18 125.83 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.84 HD21 ' HB3' ' A' ' 74' ' ' ARG . 14.8 tp -58.93 129.84 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 86' ' ' SER . 6.0 pt -113.11 -24.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 113.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.84 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.6 ptm180 -117.77 130.75 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -141.46 124.02 15.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.61 114.04 24.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.03 143.83 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -60.14 -13.86 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.32 -27.49 13.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 2.6 ptm85 -175.1 153.06 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.59 129.18 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.52 124.14 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.5 m -131.25 133.17 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -126.34 141.25 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 71' ' ' LEU . 20.3 mt -129.22 162.79 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.727 ' OG ' HG22 ' A' ' 89' ' ' VAL . 31.4 t -126.12 146.78 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.8 mtp -121.44 -21.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 48' ' ' HIS . 18.3 pttp -78.58 -12.88 60.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.727 HG22 ' OG ' ' A' ' 86' ' ' SER . 34.1 m -104.8 13.09 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -138.08 129.49 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -61.35 133.28 55.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -98.57 50.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.61 -35.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.8 p -125.16 -21.2 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.31 28.23 41.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -90.51 137.41 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 130.24 45.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -106.18 -5.33 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -131.36 81.15 66.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.893 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.42 3.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.653 ' ND2' HG12 ' A' ' 103' ' ' VAL . 25.0 p-10 -112.47 -30.75 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.481 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER 49.62 52.61 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.653 HG12 ' ND2' ' A' ' 101' ' ' ASN . 10.6 p -119.66 -21.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.62 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.8 mp -52.28 -45.53 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.519 HG22 ' NE2' ' A' ' 48' ' ' HIS . 2.6 pp -63.15 -19.12 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -66.98 120.83 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.6 m -98.17 177.33 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.77 83.69 1.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 85.92 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.8 t -104.93 136.67 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -69.75 148.13 49.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' -4' ' ' SER . 67.2 m -108.73 -48.51 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' -5' ' ' SER . 59.7 p 35.29 42.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -103.68 -172.87 25.72 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.2 t -52.18 148.58 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -62.0 128.77 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 152.79 -62.23 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt -69.43 108.92 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -53.11 125.95 19.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -48.34 159.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.57 -123.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -126.77 85.71 60.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 152.15 68.75 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.651 2.234 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.59 72.32 7.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -118.59 127.04 53.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.62 ' CE ' HD13 ' A' ' 81' ' ' ILE . 3.5 mpp? -55.87 88.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -38.69 -40.95 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -48.83 -54.01 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 40' ' ' LYS . 33.0 mt -65.53 145.8 99.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.31 -176.16 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -71.34 144.61 49.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 60.76 29.09 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.9 m -90.61 133.99 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 95' ' ' GLY . 84.9 mt -102.14 127.41 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -149.53 161.36 42.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 4.3 tt0 -96.07 130.09 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 163.43 25.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -113.38 142.48 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HB ' ' A' ' 61' ' ' VAL . 40.5 t -66.79 134.24 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.43 -20.81 5.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.9 ttt -146.95 140.34 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.54 124.02 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.7 p -126.07 157.9 36.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -5.61 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -116.31 6.47 13.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.25 -166.35 28.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.62 151.53 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 43' ' ' LEU . 53.4 m-85 -96.83 134.96 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG11 ' A' ' 69' ' ' VAL . 50.2 mm -116.42 131.43 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -85.71 127.28 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.0 mt -82.18 134.07 49.76 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 0.0 111.196 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.77 133.35 25.35 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.2 28.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.28 175.31 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.31 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -112.36 -38.46 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.3 tppt? -72.0 145.36 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -114.67 154.8 27.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -115.36 148.13 18.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.0 tp -97.14 140.74 31.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.878 HG22 ' HB2' ' A' ' 85' ' ' LEU . 47.0 t -115.7 116.38 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.609 ' ND1' HG22 ' A' ' 47' ' ' THR . 5.1 t-160 -53.44 144.09 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.03 -32.46 69.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' ND1' ' A' ' 45' ' ' HIS . 10.5 t -77.99 -16.46 58.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -93.53 -17.26 23.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.401 ' CE ' ' CB ' ' A' ' 57' ' ' PRO . 26.4 mtm -69.36 -34.33 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -146.3 144.55 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 p -79.23 -47.69 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.16 -177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 5.7 tmm_? -59.88 132.78 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 60' ' ' ILE . 16.3 t -119.04 119.71 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.51 -44.3 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -147.85 121.95 4.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.571 0.701 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' CB ' ' CE ' ' A' ' 49' ' ' MET . 53.6 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -75.53 -17.91 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -103.76 5.99 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.932 HD11 HG13 ' A' ' 54' ' ' VAL . 15.6 mt -105.76 -36.46 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 31' ' ' ALA . 4.4 m -133.44 162.37 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -154.44 141.64 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -49.89 121.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.33 -27.73 7.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.98 126.91 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -94.59 131.96 39.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.4 m -141.13 170.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.508 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.4 m95 -99.01 133.2 43.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.7 m -131.3 155.51 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -129.66 126.56 38.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.803 HD12 HD23 ' A' ' 85' ' ' LEU . 6.1 tp -61.12 130.13 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 HG21 ' A' ' 105' ' ' ILE . 11.0 pt -117.2 -19.67 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.47 115.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.679 ' HB3' HD21 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -117.35 123.12 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.811 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -132.44 123.72 27.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 ptm -118.26 119.12 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 6.1 tmtm? -115.18 149.68 37.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 54.7 m-20 -59.85 -14.01 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' H ' ' CD ' ' A' ' 77' ' ' LYS . 2.6 t70 -98.24 -28.69 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 82' ' ' LYS . 19.9 ptt180 -175.17 156.58 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.62 HD13 ' CE ' ' A' ' 9' ' ' MET . 61.5 mt -122.89 128.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mtpm? -128.3 129.18 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 71' ' ' LEU . 21.5 t -116.0 132.46 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -103.64 130.2 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.878 ' HB2' HG22 ' A' ' 44' ' ' VAL . 49.1 mt -126.43 155.72 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -130.22 145.05 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.713 ' HG2' HG12 ' A' ' 69' ' ' VAL . 70.1 mtp -120.79 -21.71 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -72.99 -9.98 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.12 11.71 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.17 142.17 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -76.98 125.39 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.07 45.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.53 -35.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.6 p -124.32 -26.21 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 18' ' ' ILE . . . 82.44 31.23 31.19 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -96.35 133.77 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.85 123.12 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -92.87 -30.35 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.45 79.93 60.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.18 9.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -87.6 -27.81 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.7 m120 53.78 42.51 31.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -26.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.513 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -69.85 -46.3 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -51.84 -25.31 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -65.76 -61.0 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m -124.24 116.87 23.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.17 147.0 3.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -2.14 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.8 p -55.29 112.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.3 t -125.48 111.02 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 44.5 p -108.45 120.9 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.388 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.6 t -124.71 140.75 52.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -177.28 65.43 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 m -85.73 162.36 18.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.1 m -38.84 135.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -146.17 70.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttm -90.78 95.57 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -109.33 146.3 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -133.54 138.89 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.09 79.73 1.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -88.0 145.6 36.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.0 58.61 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -61.49 106.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 t -138.78 154.84 48.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.7 113.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.13 -41.19 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -38.12 -62.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -45.04 156.86 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.707 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.12 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.01 179.6 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.5 tp -68.9 149.4 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 102' ' ' ASN . 43.8 m-85 54.88 25.07 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -84.4 133.98 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -101.41 128.52 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 10.9 p90 -149.28 164.2 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 3.9 tt0 -97.01 127.13 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.16 163.87 25.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -111.71 146.44 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.46 125.43 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.2 -20.73 11.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 ttt -146.59 135.12 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.55 123.95 72.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -128.2 160.93 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -7.35 40.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -114.36 10.9 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.45 -166.59 26.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.97 151.84 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -94.45 132.14 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.704 HG13 HG11 ' A' ' 69' ' ' VAL . 43.2 mm -114.0 131.32 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -85.82 127.41 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 19' ' ' PHE . 64.3 mt -86.82 130.15 49.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.85 7.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.614 2.209 . . . . 0.0 112.377 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.21 27.69 24.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.8 m -145.47 176.54 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -114.93 -24.99 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -93.08 151.74 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -121.25 149.69 42.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.642 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.61 157.3 16.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.63 140.77 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.5 t -112.4 111.3 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' ND1' HG22 ' A' ' 47' ' ' THR . 7.0 t-160 -54.06 149.14 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.05 -33.78 72.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' ND1' ' A' ' 45' ' ' HIS . 12.5 t -71.01 -22.38 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.1 -10.67 32.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.0 mtp -68.16 -36.75 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.692 ' HB3' HG22 ' A' ' 54' ' ' VAL . 2.0 t -151.96 146.11 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -73.06 -44.89 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m -61.63 -177.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -63.52 100.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 50' ' ' SER . 34.3 t -82.6 114.93 24.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -112.88 -48.96 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -124.15 97.66 40.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -12.73 33.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -80.61 -19.52 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -93.47 -3.07 53.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mt -93.33 -36.11 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.4 171.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.96 148.21 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.32 113.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.11 -25.35 5.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.47 136.1 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -101.77 131.83 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.13 170.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.0 m95 -97.98 132.67 43.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.754 HG12 ' CG ' ' A' ' 87' ' ' MET . 34.0 m -128.86 163.63 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.4 ttmt -136.77 126.34 25.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.7 tp -62.67 133.64 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 86' ' ' SER . 8.0 pt -118.4 -23.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.38 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.992 ' HB3' HD21 ' A' ' 71' ' ' LEU . 17.3 ptt-85 -118.21 129.98 55.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.297 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -144.76 123.95 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.46 114.16 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -116.3 148.8 40.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.32 -13.88 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -94.22 -32.4 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 82' ' ' LYS . 17.3 ptm180 -175.76 157.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.81 118.45 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -104.54 124.87 50.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.3 m -134.12 133.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -125.47 134.76 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.628 ' HB2' HG22 ' A' ' 44' ' ' VAL . 21.1 mt -125.06 161.25 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 8.1 t -135.12 142.68 46.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.754 ' CG ' HG12 ' A' ' 69' ' ' VAL . 53.6 mtp -112.78 -29.72 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -61.98 -19.36 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.467 HG12 ' OD2' ' A' ' 99' ' ' ASP . 4.1 m -102.62 21.32 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 16.8 t -148.18 134.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -69.9 124.51 24.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -86.24 51.11 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.93 -34.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -125.12 -31.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.04 28.59 17.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.14 134.56 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -56.34 116.53 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.97 -35.33 17.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.707 ' OD1' HD13 ' A' ' 104' ' ' ILE . 2.9 m-20 -113.96 76.46 3.32 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.648 0.737 . . . . 0.0 110.941 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -19.41 36.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.44 -42.22 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 8.9 m-80 67.31 42.86 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.72 -17.55 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.707 HD13 ' OD1' ' A' ' 99' ' ' ASP . 4.3 mp -79.18 -53.9 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -49.85 -25.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.96 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -40.47 135.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 170.85 68.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.276 . . . . 0.0 112.359 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -40.26 118.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -82.2 158.02 23.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 65.7 p -81.99 117.16 21.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.0 t -156.98 142.94 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -122.45 -70.55 0.25 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.2 m 52.45 42.44 31.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 53.4 p -88.84 133.53 34.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -124.08 130.82 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt -64.02 158.19 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -92.58 177.15 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -163.57 171.03 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.24 119.19 1.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -134.19 136.81 26.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.22 2.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.04 88.95 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 p -110.17 164.59 12.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.27 41.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -88.71 54.44 3.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -65.44 -28.21 69.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.86 157.28 30.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.639 0.733 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.72 175.94 7.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 172.39 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HA ' HD23 ' A' ' 71' ' ' LEU . 17.9 tp -65.97 145.2 56.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 23.3 m-85 58.72 26.97 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 m -89.88 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.97 132.8 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -154.49 164.68 38.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 3.9 tt0 -100.47 123.47 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.09 162.46 23.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -108.61 138.8 44.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 33' ' ' ILE . 46.5 t -67.65 126.11 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.36 -21.86 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.515 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.7 ttt -147.61 139.75 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.06 123.98 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p -128.74 160.79 31.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -6.56 40.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -117.36 11.72 14.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.93 -168.96 27.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.08 148.66 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 14.4 m-85 -93.33 134.65 35.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 23' ' ' VAL . 11.5 mm -121.25 131.76 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 44.5 mttt -84.8 130.09 34.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 36' ' ' PRO . 55.9 mt -89.77 137.47 28.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.724 . . . . 0.0 111.188 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.1 Cg_endo -69.78 123.35 10.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.94 36.37 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 96.2 m -146.25 170.19 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -109.12 -37.21 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmtm -88.76 152.04 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 23.1 mt-30 -115.51 164.47 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.0 150.76 18.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.56 134.81 41.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB2' ' A' ' 85' ' ' LEU . 82.8 t -105.93 110.93 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.27 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -59.21 -32.09 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 13.4 t -64.89 -32.03 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -92.56 -12.89 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.1 mtp -64.13 -24.65 67.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.733 ' HB3' HG22 ' A' ' 54' ' ' VAL . 13.4 t -162.85 147.72 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -68.16 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 96.6 m -47.16 171.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.7 99.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 50' ' ' SER . 48.0 t -68.18 119.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -46.4 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 21.0 mtmm -140.68 104.92 6.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.7 -19.53 36.3 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 t -72.55 -10.21 59.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -106.34 1.19 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mt -90.89 -36.56 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG21 HG21 ' A' ' 23' ' ' VAL . 2.4 m -144.44 177.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -154.79 138.71 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -38.83 122.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -22.81 19.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.15 130.77 35.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.3 ttmt -94.66 131.96 39.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.06 170.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 99.2 m95 -99.68 132.51 44.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.6 m -134.85 158.28 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 89' ' ' VAL . 20.0 ttpt -128.69 131.05 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 74' ' ' ARG . 5.9 tp -64.23 128.71 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 pt -110.17 -30.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.36 114.18 0.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.94 ' HB3' HD21 ' A' ' 71' ' ' LEU . 8.9 ptt85 -116.91 129.97 56.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.02 123.81 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.4 mtp -118.03 113.96 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -116.52 143.91 45.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -59.36 -13.8 9.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 32.7 t70 -97.99 -30.06 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 24.5 mtt180 -168.64 157.15 8.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.497 HD12 ' HE2' ' A' ' 40' ' ' LYS . 52.3 mt -116.94 129.02 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -122.29 129.08 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.07 128.45 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -121.27 132.74 54.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.837 ' CD2' HD12 ' A' ' 71' ' ' LEU . 10.5 mt -124.58 160.73 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.588 ' HB2' HG22 ' A' ' 89' ' ' VAL . 2.8 p -126.57 151.04 48.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 69' ' ' VAL . 71.1 mtp -124.94 -24.84 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -72.89 -19.57 61.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' SER . 30.5 m -96.91 5.5 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -129.66 144.94 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -77.63 151.67 34.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -105.03 -12.63 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.51 -47.39 4.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -117.38 -24.12 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.53 56.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -72.63 160.48 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -78.17 127.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.0 mt -95.86 -28.77 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.56 77.47 75.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.389 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.56 -40.09 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 1.4 m-80 65.44 51.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -118.73 -13.67 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.5 mp -90.39 -37.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.623 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.25 -21.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.9 pt-20 -102.63 89.74 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.4 m -101.21 128.17 47.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -92.8 -176.1 41.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.05 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.7 t 49.41 42.95 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.1 p -57.84 158.73 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.3 p -73.48 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.903 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' -3' ' ' GLY . 8.0 t -140.54 165.27 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.83 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' -4' ' ' SER . . . -37.47 145.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.0 m -122.17 166.4 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.4 p -90.32 175.77 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -105.02 90.14 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm -93.5 83.57 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -134.99 144.03 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -66.24 165.07 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 97.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -96.45 157.05 36.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 166.21 28.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -129.19 114.87 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.2 p -109.92 -50.67 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.0 171.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -88.23 20.53 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt -43.73 152.63 0.43 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.91 173.77 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.0 tp -65.91 141.99 58.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 62.89 25.32 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -90.51 135.23 33.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -101.34 126.69 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 11.6 p90 -143.01 162.94 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 20.9 tt0 -100.58 121.97 42.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.53 163.94 24.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -109.74 137.45 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 33' ' ' ILE . 54.9 t -63.48 133.24 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.64 -20.71 8.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 8.7 ttt -148.05 139.71 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.18 124.0 71.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.9 p -123.3 159.47 28.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.52 0.85 9.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -128.39 11.64 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.04 -167.46 31.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.72 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.2 m-85 -93.44 136.89 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.577 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.4 mm -121.67 129.36 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -82.5 129.86 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -87.46 138.02 32.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.777 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.1 Cg_endo -69.71 112.91 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.1 43.91 7.32 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.9 m -150.73 177.9 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -116.72 -35.77 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CE ' ' HB ' ' A' ' 81' ' ' ILE . 9.0 tptp -88.34 144.64 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -108.4 161.19 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.75 142.24 17.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 tp -93.59 137.65 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.692 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.3 t -109.72 105.79 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.65 ' ND1' HG22 ' A' ' 47' ' ' THR . 13.4 t-160 -51.86 146.04 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -60.5 -32.16 71.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.2 t -67.61 -22.95 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -94.97 -23.96 17.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 57' ' ' PRO . 23.8 mtp -50.37 -53.01 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -132.42 145.29 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -67.1 -58.12 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.4 m -59.59 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -60.37 146.55 43.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.17 137.02 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.36 -40.92 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -145.9 105.02 4.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 54.2 Cg_endo -69.77 -15.69 37.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -74.81 -12.24 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -102.81 -5.19 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.3 mt -85.14 -41.05 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.53 171.4 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.3 144.1 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.32 116.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.19 -22.51 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -84.1 128.72 34.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 21.4 ttpt -97.35 134.25 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.99 169.36 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.4 m95 -99.45 133.11 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.902 HG12 ' HG2' ' A' ' 87' ' ' MET . 12.6 m -139.17 157.84 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.923 ' HE3' HG21 ' A' ' 89' ' ' VAL . 9.9 pttp -126.8 137.89 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.6 tp -66.31 130.85 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 84' ' ' SER . 4.6 pt -111.78 -23.43 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.28 112.94 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.8 ptm180 -109.43 122.95 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -131.74 123.87 28.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' MET . 3.3 ppp? -117.97 121.48 40.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -117.24 148.55 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -13.78 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -100.33 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -175.79 154.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' HB ' ' CE ' ' A' ' 40' ' ' LYS . 60.9 mt -119.05 122.27 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -115.56 129.08 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.8 t -121.29 128.39 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 72' ' ' ILE . 1.9 m -106.73 130.27 54.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' HB2' HG22 ' A' ' 44' ' ' VAL . 50.9 mt -125.64 159.93 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.527 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.2 t -128.3 154.0 46.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.902 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.5 mtp -124.75 -35.51 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -62.12 -11.29 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.923 HG21 ' HE3' ' A' ' 70' ' ' LYS . 28.9 m -108.88 20.5 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 68' ' ' TRP . 11.0 t -146.13 141.9 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.154 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -76.93 129.8 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -89.26 38.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.74 -36.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 p -122.74 -21.6 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.153 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.72 21.93 60.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -84.12 137.15 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.02 127.85 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.7 mt -96.14 -15.99 21.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 16.9 p-10 -129.08 78.9 75.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.846 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 1.16 4.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -99.6 -37.17 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.72 47.49 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 101' ' ' ASN . 61.5 t -111.83 -12.16 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.1 mp -84.02 -46.31 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.6 pp -59.35 -19.65 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -81.36 98.29 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.0 p -59.0 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 98.27 -159.37 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.534 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.5 Cg_endo -69.79 -0.95 7.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 109' ' ' PRO . 27.9 m -35.44 -55.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.8 p -46.84 151.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.5 m 40.84 42.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.894 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.5 p -143.86 139.61 29.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -128.22 44.94 1.18 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.55 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.2 p -58.2 174.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.8 m -107.04 148.98 28.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 145.09 -109.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -42.69 -63.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.697 0.284 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -43.69 140.92 1.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 46.39 37.46 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.57 24.72 7.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.38 155.38 27.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 167.13 25.41 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.87 101.83 13.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.03 -14.81 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.83 40.14 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -43.03 -29.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -45.27 -54.9 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.99 146.69 97.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 -173.89 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.93 -178.42 4.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 71' ' ' LEU . 28.9 tp -69.23 147.84 50.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 57.73 25.61 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -89.46 143.71 26.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 97' ' ' ASP . 91.7 mt -109.78 135.86 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.1 p90 -156.56 163.39 39.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.425 ' NE2' ' HE2' ' A' ' 66' ' ' LYS . 12.6 tt0 -95.08 127.83 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.5 157.63 23.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -107.65 140.11 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 61' ' ' VAL . 31.6 t -67.62 128.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.73 -24.46 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttt -143.03 139.37 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -120.54 124.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -123.14 159.66 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.39 0.28 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -127.54 11.36 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.1 -164.44 29.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -150.84 150.04 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -93.39 134.45 35.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 69' ' ' VAL . 51.2 mm -115.62 129.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 44.8 mtmt -85.04 126.46 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.6 mt -85.95 133.67 40.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.4 Cg_endo -69.8 118.74 5.86 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.82 36.47 11.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.1 m -147.44 177.14 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -115.07 -33.44 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HE3' HD12 ' A' ' 81' ' ' ILE . 32.8 mmtt -90.61 155.63 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -123.13 155.15 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.05 160.4 13.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -108.89 138.67 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 85' ' ' LEU . 58.5 t -112.89 115.87 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.601 ' ND1' HG22 ' A' ' 47' ' ' THR . 3.3 t-160 -54.43 143.04 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 47' ' ' THR . 7.9 ppt_? -58.89 -31.27 68.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.601 HG22 ' ND1' ' A' ' 45' ' ' HIS . 6.8 t -77.99 -14.07 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -96.79 -19.06 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mtm -68.74 -36.69 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 t -144.75 140.34 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -80.2 -51.46 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -48.12 176.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -59.89 98.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 60' ' ' ILE . 2.8 t -78.83 125.96 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -108.03 -47.44 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -142.57 113.64 6.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -16.89 37.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -77.03 -11.72 59.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.13 0.35 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 54' ' ' VAL . 22.0 mt -99.47 -32.03 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 31' ' ' ALA . 3.9 m -134.88 152.83 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.98 143.31 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.29 115.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.21 -21.67 7.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.62 127.81 34.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.51 133.76 39.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.2 m -141.23 164.46 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.13 129.87 37.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 87' ' ' MET . 33.0 m -127.74 155.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.549 ' HZ3' HG21 ' A' ' 89' ' ' VAL . 20.4 ttpt -130.87 126.96 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 15' ' ' LEU . 13.8 tp -63.56 128.81 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 105' ' ' ILE . 17.5 pt -111.66 -24.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.24 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.76 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptt85 -121.58 123.13 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -130.39 124.01 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 mtp -113.45 113.97 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -116.81 145.61 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.74 -13.88 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 -31.66 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -175.38 157.04 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.578 HD12 ' HE3' ' A' ' 40' ' ' LYS . 60.4 mt -103.3 124.61 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -107.52 128.88 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.63 120.06 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 129.31 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 44' ' ' VAL . 19.5 mt -122.8 161.36 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -134.44 144.97 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.634 ' CG ' HG12 ' A' ' 69' ' ' VAL . 75.3 mtp -117.44 -24.24 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -66.84 -13.99 62.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.549 HG21 ' HZ3' ' A' ' 70' ' ' LYS . 34.3 m -108.9 17.35 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 t -141.78 138.05 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.65 128.98 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -91.92 52.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.56 -36.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -123.22 -26.92 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.92 29.78 22.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.426 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -94.17 134.68 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.521 ' CG ' HD11 ' A' ' 18' ' ' ILE . 20.0 t0 -59.53 123.18 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.72 -33.99 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' A' ' 104' ' ' ILE . 5.3 t70 -112.34 75.69 1.76 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -10.89 29.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.24 -37.53 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.57 48.33 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -105.6 -28.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.7 mp -70.43 -48.98 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 72' ' ' ILE . 2.4 pp -51.69 -25.74 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.8 tm-20 -83.1 50.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 98.7 p -120.3 128.56 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.89 -80.63 0.34 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.226 . . . . 0.0 112.389 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.5 m -131.81 -48.42 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -98.85 112.36 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 87.4 p 40.48 42.59 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.9 p -124.83 156.73 37.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -145.22 -100.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m 56.49 41.71 28.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 47.5 t -131.23 112.74 13.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.09 144.37 3.91 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.63 176.42 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.661 0.267 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -149.3 133.07 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -129.59 108.14 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.83 164.67 10.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.56 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 149.74 97.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 140.52 42.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.47 129.25 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' MET . 50.0 p -123.11 111.85 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' THR . 13.5 mmm -34.95 -59.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -93.96 -177.48 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -105.35 39.83 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 mt -55.19 155.86 8.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.673 0.749 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.89 13.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.5 178.05 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -67.33 152.83 45.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 51.56 27.05 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -89.42 140.06 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -107.64 131.55 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 69' ' ' VAL . 12.5 p90 -149.56 165.11 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 21.0 tt0 -101.48 122.45 43.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.97 162.89 24.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.93 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 61' ' ' VAL . 26.3 t -66.33 126.23 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -111.18 -23.63 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttt -147.04 138.84 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.2 t -121.33 124.03 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -128.09 156.79 42.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.57 -6.09 28.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -118.39 8.81 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.35 -172.64 30.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.51 148.01 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 43' ' ' LEU . 4.6 m-85 -97.67 132.87 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.4 mm -116.0 144.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 52.5 mttt -90.44 131.51 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.6 mt -90.36 131.42 38.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.632 0.73 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.19 9.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.77 60.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.05 168.62 19.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.33 -43.49 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -69.99 156.44 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -121.01 165.16 15.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.85 147.7 17.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.6 tp -100.74 141.59 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 85' ' ' LEU . 95.3 t -116.48 105.96 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.423 ' ND1' HG22 ' A' ' 47' ' ' THR . 2.7 t-160 -49.34 149.15 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' O ' HG21 ' A' ' 54' ' ' VAL . 10.9 ptt180 -59.14 -31.35 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.3 t -74.98 -20.06 59.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -95.92 -22.2 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.9 mtp -52.62 -51.73 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -131.01 152.18 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.6 t -70.38 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 m -55.91 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.54 125.49 24.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 46' ' ' ARG . 42.0 t -96.0 130.83 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -113.37 -52.5 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -136.76 112.41 9.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.81 27.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -71.11 -7.94 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.54 -1.35 24.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -93.94 -48.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 23' ' ' VAL . 4.8 m -135.29 173.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.45 139.41 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.4 t -38.24 117.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -20.67 10.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.12 127.99 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 4.2 ttpm? -93.9 132.0 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.01 169.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 98.0 m95 -98.22 132.8 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' A' ' 87' ' ' MET . 17.8 m -131.75 163.07 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' NZ ' HG21 ' A' ' 89' ' ' VAL . 15.9 ttpt -135.3 133.49 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.3 tp -68.76 129.78 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.49 -24.81 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.2 110.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.96 ' HB3' HD21 ' A' ' 71' ' ' LEU . 11.1 ptm180 -106.37 127.08 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -137.6 123.95 20.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -117.06 115.13 24.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -115.59 143.89 44.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -59.86 -13.98 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.05 -29.08 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 2.0 ptm85 -175.19 157.03 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.8 mt -109.28 132.44 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 123.18 40.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 71' ' ' LEU . 54.8 t -121.18 132.48 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.22 126.39 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' A' ' 44' ' ' VAL . 31.8 mt -125.72 153.96 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -131.53 153.81 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.721 ' HG3' HG12 ' A' ' 69' ' ' VAL . 50.5 mtp -122.12 -29.72 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -67.79 -8.03 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.566 HG21 ' NZ ' ' A' ' 70' ' ' LYS . 18.8 m -115.13 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' TRP . 20.8 t -146.51 135.1 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.3 125.81 26.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -88.99 44.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.34 -36.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.2 p -116.32 -32.65 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.17 26.1 24.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -95.18 135.36 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -57.05 128.66 38.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.8 -21.57 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 14.2 p-10 -120.03 76.49 22.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.28 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -105.94 -31.98 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.87 52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -106.07 -23.25 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.74 -55.52 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.577 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.7 pp -46.62 -26.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.75 84.66 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.5 p -114.25 132.84 56.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.64 83.97 0.35 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 133.11 24.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.745 2.297 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 92.0 p -108.81 164.47 12.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 m -53.36 178.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 27.1 m -75.72 -61.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 69.5 m -80.08 85.54 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -71.06 153.22 50.96 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.39 95.73 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.5 m -76.62 -45.81 28.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 82.62 97.96 0.5 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -144.07 143.59 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -143.08 175.68 9.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -149.99 129.4 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.69 -106.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -173.14 135.79 0.71 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 165.6 30.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.214 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.51 64.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.6 p -61.31 146.66 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.8 ptm -90.82 -31.02 16.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' LEU . 17.4 tp10 -122.93 157.42 32.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 90.0 m-20 -38.49 -26.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' GLU . 68.5 mt -40.4 150.02 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.732 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -169.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.16 179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -66.49 149.13 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 50.7 24.94 1.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -85.2 139.64 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -105.54 131.22 55.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -150.23 167.98 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 17.6 tt0 -106.74 126.11 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.39 161.03 25.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.43 143.33 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.4 t -65.81 133.68 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 16.2 ttt -145.58 139.36 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -121.41 124.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -131.01 155.16 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.5 -6.52 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.2 6.36 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.44 -170.43 29.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.18 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 43' ' ' LEU . 2.4 m-85 -97.35 136.74 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 23' ' ' VAL . 9.5 mm -120.87 131.7 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 29.5 mtpt -82.74 134.07 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.572 HG23 ' HD2' ' A' ' 36' ' ' PRO . 45.2 mt -91.83 136.29 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 111.194 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.72 147.46 63.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.14 13.44 20.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.4 m -130.49 179.34 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -116.59 -48.97 2.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -65.98 152.78 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 52.1 mt-30 -118.49 156.11 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.71 143.64 17.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.1 tp -97.24 139.28 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.0 t -112.14 116.21 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -57.26 147.47 25.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.99 -35.31 73.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -70.62 -21.66 62.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -91.08 -15.66 29.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.2 mtp -66.74 -46.89 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.7 m -106.4 172.0 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -62.91 -68.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.64 -69.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -79.77 133.25 36.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 50' ' ' SER . 3.1 t -126.13 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -62.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -148.8 121.46 4.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -24.02 29.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.4 p -75.52 -4.18 38.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -110.4 -9.96 14.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -89.49 -38.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.19 163.16 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.63 140.2 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.34 120.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.21 -16.13 27.49 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.1 131.04 34.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 31.2 ttmt -98.57 131.96 44.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.02 169.1 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.3 m95 -97.26 132.18 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.35 161.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.3 ttpt -135.91 126.68 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 15' ' ' LEU . 15.9 tp -60.87 130.33 45.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.594 HG22 HG21 ' A' ' 105' ' ' ILE . 9.4 pt -109.57 -30.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 139.82 6.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.903 ' CG ' HD21 ' A' ' 71' ' ' LEU . 44.1 mtp180 -112.89 123.77 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -135.19 123.79 23.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.8 138.63 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -118.04 150.38 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -59.08 -13.66 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.02 -29.21 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -176.15 157.06 1.76 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.5 mt -96.67 134.28 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 129.04 52.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 71' ' ' LEU . 63.6 t -118.73 130.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -97.19 129.78 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 44' ' ' VAL . 72.4 mt -125.81 153.28 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.656 ' HB3' HG22 ' A' ' 89' ' ' VAL . 33.4 m -122.21 153.73 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 67' ' ' VAL . 91.1 mtp -126.22 -27.69 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -77.27 -7.17 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.656 HG22 ' HB3' ' A' ' 86' ' ' SER . 29.7 m -109.18 19.76 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -143.16 143.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -76.26 123.53 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -86.54 38.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.53 -34.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.6 p -125.74 -26.82 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.97 28.69 27.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.2 137.03 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.725 0.297 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 23.5 t0 -57.66 120.71 8.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.22 -13.9 27.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 16.4 p-10 -127.89 75.99 77.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.817 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.52 -35.56 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 58.48 52.9 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 -17.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -82.9 -48.86 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.594 HG21 HG22 ' A' ' 72' ' ' ILE . 2.2 pp -49.55 -26.53 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 107' ' ' SER . 35.6 tt0 -75.39 -51.0 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLU . 3.1 t 34.76 48.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 43.46 -156.54 0.15 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.554 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 150.46 68.44 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 t -70.86 -54.93 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -50.43 101.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.451 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' -4' ' ' SER . 1.1 t -131.62 174.74 9.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.385 . . . . 0.0 110.809 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' -5' ' ' SER . 60.5 p 37.33 41.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -78.79 -161.87 20.95 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.429 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.4 m -92.03 160.81 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.791 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.9 m -97.92 125.47 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 1' ' ' MET . . . -109.55 -143.54 10.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 0' ' ' GLY . 4.0 ptt? 35.7 49.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -63.67 119.83 10.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -174.24 166.44 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' C ' ' HD3' ' A' ' 5' ' ' ARG . . . 82.35 117.42 0.51 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.535 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.55 HH11 ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -121.62 137.95 27.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 177.05 6.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.4 60.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 p -124.21 179.36 4.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.39 88.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' THR . 35.3 tt0 -61.92 -33.67 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -52.96 -56.89 12.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -78.91 156.47 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.1 Cg_endo -69.75 -178.84 2.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.24 173.55 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 71' ' ' LEU . 24.2 tp -62.86 148.16 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 52.46 26.56 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -90.67 137.99 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.14 136.78 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.8 p90 -155.94 170.32 22.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 4.1 tt0 -107.21 125.89 51.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.54 164.02 24.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -110.78 134.31 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.7 t -64.1 128.04 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.86 11.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.503 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 24.5 ttt -147.88 140.86 24.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 61.1 t -123.98 124.46 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 p -127.77 161.94 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -72.88 -1.44 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -121.29 7.59 10.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.67 -166.06 29.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.5 148.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 13.9 m-85 -93.95 136.41 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.495 ' CD1' HG22 ' A' ' 23' ' ' VAL . 16.9 mm -123.09 136.13 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 41' ' ' GLN . 74.3 mttt -94.49 121.07 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.642 HG23 ' HD2' ' A' ' 36' ' ' PRO . 57.8 mt -82.25 137.88 45.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.634 0.73 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.7 120.13 6.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.83 41.65 22.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.42 -175.5 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -119.8 -32.89 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -116.41 160.7 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CD ' ' HE2' ' A' ' 34' ' ' LYS . 17.4 mt-30 -107.61 156.02 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.96 158.14 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.55 141.47 43.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 85' ' ' LEU . 66.4 t -114.87 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.73 150.78 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.68 -31.86 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.8 p -63.38 -34.4 77.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HE1' HG22 ' A' ' 105' ' ' ILE . 96.2 m-70 -88.0 -11.44 47.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.57 -23.8 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.595 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.3 t -133.49 167.59 20.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -58.92 -67.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.4 m -133.39 -69.46 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 128.98 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.5 t -121.61 95.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.58 -41.71 60.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -162.66 105.0 1.06 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.552 ' HA ' HD12 ' A' ' 60' ' ' ILE . 53.8 Cg_endo -69.71 -13.84 35.39 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 27.3 m -78.85 -24.58 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.2 -6.34 53.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 57' ' ' PRO . 49.9 mt -83.36 -35.29 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.52 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.81 135.5 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -39.15 122.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.53 -17.52 25.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.67 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 6.6 ttpm? -89.6 132.04 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.06 169.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.0 m95 -103.65 130.5 51.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.762 HG12 ' CG ' ' A' ' 87' ' ' MET . 28.6 m -129.7 157.09 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 89' ' ' VAL . 19.0 ttpt -130.44 126.2 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 15' ' ' LEU . 17.7 tp -59.29 138.15 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 84' ' ' SER . 6.7 pt -117.28 -32.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.24 137.04 4.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.833 ' CG ' HD21 ' A' ' 71' ' ' LEU . 72.2 mtp180 -109.42 123.05 48.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.09 124.3 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 113.89 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -103.63 148.98 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.34 -13.86 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -97.74 -30.68 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -176.25 156.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.8 121.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.53 129.27 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.88 118.57 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.642 ' HB3' HD11 ' A' ' 72' ' ' ILE . 17.9 m -97.02 127.2 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.885 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.9 mt -124.02 159.68 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 16.5 t -127.67 145.32 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.762 ' CG ' HG12 ' A' ' 69' ' ' VAL . 86.7 mtp -123.89 -31.38 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -65.24 -11.28 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -111.57 24.93 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 86.8 t -153.32 127.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -59.01 157.78 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 70.9 mm-40 -109.75 -21.39 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.63 -23.0 48.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -129.43 -29.9 2.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 68' ' ' TRP . . . 81.83 23.85 56.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -87.47 159.03 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.99 130.96 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.68 -21.85 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.8 t70 -132.99 75.93 71.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.16 17.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.665 2.244 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 68.8 m-80 -78.34 -47.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 101' ' ' ASN . 1.9 m-80 73.29 42.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -107.08 -17.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.441 HD13 ' CG ' ' A' ' 99' ' ' ASP . 4.0 mp -76.67 -61.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -45.0 -28.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.9 tp10 -67.21 -54.3 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.3 p -90.9 157.39 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.17 -178.8 18.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 141.93 46.52 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.667 2.244 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 t -115.92 110.84 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -63.31 168.82 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 61.9 p -42.77 124.22 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 21.5 t -98.54 105.05 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -43.22 118.58 2.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 46.1 m -104.18 173.84 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 44.4 p -116.36 161.72 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 142.52 64.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.5 mtm -126.54 162.08 26.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -143.75 149.91 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -146.69 142.4 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 132.75 1.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -90.11 138.63 27.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.412 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -90.23 128.29 36.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -110.33 -41.75 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -38.63 -58.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.35 92.18 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -89.29 15.22 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' A' ' 40' ' ' LYS . 32.1 mt -52.38 153.71 4.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.563 0.696 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.81 174.94 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -66.04 145.66 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 60.63 26.0 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.9 m -90.28 139.18 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -105.68 130.49 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -151.29 162.74 40.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 18.5 tt0 -100.15 128.6 46.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.6 157.15 23.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.545 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.24 145.54 27.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -72.63 125.26 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.72 -24.86 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -148.09 138.16 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 58.9 t -121.03 123.97 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.7 p -126.19 160.36 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.52 1.65 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -124.94 5.51 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.38 32.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.91 146.94 31.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.34 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 43' ' ' LEU . 10.1 m-85 -93.14 134.23 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 69' ' ' VAL . 16.3 mm -120.46 128.5 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -82.78 123.6 29.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 19' ' ' PHE . 58.8 mt -82.95 130.65 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.94 41.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.17 -17.98 8.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 12' ' ' LEU . 1.9 t -115.68 168.67 9.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 mtm105 -103.94 -36.01 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 12' ' ' LEU . 5.5 mmtp -66.48 142.81 57.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -113.11 164.26 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.41 151.13 17.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 32' ' ' PHE . 24.6 tp -103.17 134.57 46.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.7 t -104.09 111.45 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.16 147.79 15.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB2' HG11 ' A' ' 54' ' ' VAL . 2.7 ptm180 -59.31 -33.25 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -68.23 -32.8 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -85.09 -19.92 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 mtp -62.08 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -126.06 164.26 21.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 m -49.91 -69.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -134.58 -66.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -67.7 127.42 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 46' ' ' ARG . 4.6 t -121.07 82.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -70.83 -54.24 12.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 36.8 mtmt -149.13 104.93 3.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.71 -18.05 37.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 11.3 t -82.47 -9.85 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -99.39 -14.72 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -78.94 -30.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.6 m -143.48 175.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -161.68 141.28 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.87 120.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.48 -23.83 11.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -82.33 128.26 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 20' ' ' GLN . 26.8 tttt -94.45 133.11 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG21 ' HE3' ' A' ' 87' ' ' MET . 18.3 m -141.18 170.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 93.9 m95 -101.22 133.27 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' CG ' ' A' ' 87' ' ' MET . 19.9 m -131.82 159.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -127.52 134.76 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.849 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.1 tp -68.84 133.74 48.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -118.4 -24.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.49 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.849 ' HB3' HD21 ' A' ' 71' ' ' LEU . 18.0 ptt180 -119.76 125.56 48.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -142.28 123.94 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -116.92 114.12 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -116.7 146.46 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.47 -13.93 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.35 -31.94 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -175.61 157.07 2.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 ' HE2' ' A' ' 40' ' ' LYS . 86.2 mt -112.25 132.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -120.64 128.93 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.89 127.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -117.04 128.45 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' HB2' HG22 ' A' ' 44' ' ' VAL . 59.2 mt -122.83 158.65 29.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -131.22 148.23 52.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.669 ' CG ' HG12 ' A' ' 69' ' ' VAL . 58.9 mtp -120.9 -27.97 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' HG13 ' A' ' 89' ' ' VAL . 7.7 pttp -63.69 -26.03 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG13 ' HG3' ' A' ' 88' ' ' LYS . 30.7 m -96.97 11.26 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.6 142.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.04 130.24 34.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -88.81 51.06 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.7 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.1 p -120.38 -22.4 6.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 29.35 50.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.23 144.57 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 109.19 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.85 -37.4 55.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 89' ' ' VAL . 7.8 m-20 -117.82 75.81 10.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.68 -11.28 30.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -70.99 -34.37 71.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 4.8 m-80 56.16 38.46 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.87 -21.73 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -75.78 -48.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.505 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -54.45 -23.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.14 120.18 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.3 p -93.54 108.66 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.9 -157.65 11.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -17.69 37.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.4 t -88.56 84.94 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' GLY . 5.2 m -89.64 162.22 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.447 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.7 t -66.37 86.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.3 t -130.77 153.25 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.36 136.06 4.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.7 t -158.78 108.73 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -61.09 98.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 93.95 147.84 22.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -142.96 133.16 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -151.18 -179.24 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -129.6 -45.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.77 52.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -104.66 143.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 167.04 25.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -133.97 145.4 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 t -109.26 -7.94 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.6 tpp -126.19 106.49 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -114.82 10.72 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -43.45 -53.8 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 40' ' ' LYS . 21.2 mt -60.02 156.15 39.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.6 Cg_endo -69.74 -177.61 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.392 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.13 173.07 8.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.879 ' HA ' HD23 ' A' ' 71' ' ' LEU . 20.4 tp -67.1 142.62 57.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 64.41 26.72 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -88.38 136.04 33.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.0 mt -103.68 127.79 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 9.5 p90 -151.13 159.16 44.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 13.3 tt0 -94.93 123.59 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 163.99 22.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.45 141.38 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.59 131.98 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -119.5 -22.19 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 ttt -147.99 139.28 23.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -122.51 124.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -129.93 160.94 32.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.31 -2.93 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -120.05 10.77 11.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.21 -173.42 24.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.41 151.26 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 43' ' ' LEU . 6.5 m-85 -92.97 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.6 mm -118.22 123.18 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 37.7 mttt -74.97 133.2 41.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 40' ' ' LYS . 63.1 mt -90.01 131.93 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.41 16.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 -37.5 2.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 99.7 m -78.02 -178.52 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -115.08 -46.87 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HB3' HD21 ' A' ' 12' ' ' LEU . 14.7 tppt? -73.64 152.9 40.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mp0 -116.27 166.92 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.997 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.15 154.47 16.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -102.36 137.78 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 85' ' ' LEU . 73.0 t -111.23 102.49 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.89 153.15 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' THR . 11.4 ptt180 -59.4 -32.26 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 13.4 p -64.5 -29.38 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -90.92 -31.93 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 mtp -44.21 -32.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 t -157.48 146.91 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -63.05 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -53.81 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmt-85 -60.45 169.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 100.0 t -144.09 133.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.55 -36.17 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 mtmt -148.97 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.7 Cg_endo -69.78 -19.15 36.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.1 p -74.09 -3.61 30.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -108.41 -5.35 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt -93.99 -47.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.37 169.87 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' VAL . 2.3 m-20 -157.81 136.12 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . 99.5 t -37.43 119.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.86 -27.57 7.43 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.549 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -79.09 127.19 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 15.1 ttpp -100.2 132.43 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG21 ' CE ' ' A' ' 87' ' ' MET . 19.3 m -141.21 170.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.4 m95 -92.29 141.3 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 87' ' ' MET . 2.8 m -138.02 162.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' CE ' HG21 ' A' ' 89' ' ' VAL . 9.3 ttpp -134.92 125.29 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 74' ' ' ARG . 9.2 tp -60.14 129.76 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 105' ' ' ILE . 6.1 pt -113.9 -26.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.48 108.79 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.897 ' HB3' HD21 ' A' ' 71' ' ' LEU . 10.4 ptt85 -117.46 136.19 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -147.11 123.91 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 ttt -116.29 114.13 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -116.33 143.56 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -59.0 -13.64 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 10.6 t70 -101.98 -28.85 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 12.8 mtp180 -167.44 157.1 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.31 130.87 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 129.04 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.5 t -131.32 127.86 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -120.66 132.35 55.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 71' ' ' LEU . 29.5 mt -123.82 159.01 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.513 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -121.68 152.06 39.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' HG21 ' A' ' 67' ' ' VAL . 80.5 mtp -124.04 -23.87 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -79.02 -21.25 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 70' ' ' LYS . 16.3 m -99.64 28.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -150.74 128.87 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -61.04 136.99 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 87' ' ' MET . 35.7 mm-40 -100.99 48.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.03 -40.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.3 p -117.87 -25.28 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.85 30.84 30.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -91.36 134.44 34.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.17 130.03 44.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 mt -101.58 -26.17 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.425 ' CG ' ' HB ' ' A' ' 89' ' ' VAL . 28.0 p-10 -120.07 76.41 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.288 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -102.86 -38.51 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 68.93 50.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -32.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.611 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -65.45 -51.94 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.56 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -52.2 -23.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.7 tt0 -84.08 -58.11 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -41.11 110.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.6 79.73 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 164.64 33.7 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.2 m -108.37 125.4 51.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -52.99 148.22 8.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.432 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.0 Cg_endo -69.74 169.53 18.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.735 2.29 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.66 171.02 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.953 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.7 tp -66.74 140.49 57.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 60.71 27.64 17.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.9 m -89.64 141.08 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 97' ' ' ASP . 78.2 mt -103.39 131.39 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.6 p90 -150.72 170.56 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -109.07 122.97 48.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.66 163.61 24.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -108.16 147.75 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' CD1' ' A' ' 33' ' ' ILE . 34.4 t -73.9 127.33 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.11 -25.2 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.9 ttt -146.62 140.35 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.1 124.53 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.1 p -126.11 160.91 28.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -126.6 8.72 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.51 -169.04 30.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.61 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 43' ' ' LEU . 24.0 m-85 -93.06 135.95 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 23' ' ' VAL . 42.0 mm -121.15 140.9 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -95.75 122.09 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 36' ' ' PRO . 39.7 mt -85.07 137.6 37.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.6 Cg_endo -69.8 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.36 48.59 4.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -138.29 -175.45 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -122.37 -29.71 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -114.72 158.48 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -109.63 151.99 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.42 156.63 17.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.8 tp -110.87 138.62 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 85' ' ' LEU . 76.6 t -113.87 100.72 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.53 153.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -60.47 -32.3 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.8 p -63.52 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.2 -22.68 17.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.0 mtp -50.86 -33.52 24.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 54' ' ' VAL . 4.3 t -154.98 129.91 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -51.51 -58.12 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.5 p -59.76 -177.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -62.46 132.87 53.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 50' ' ' SER . 98.4 t -111.75 111.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.67 -41.18 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 68.6 mttt -133.63 88.41 33.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.7 Cg_endo -69.87 -17.77 36.87 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.1 p -75.72 -5.03 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -110.23 -16.42 13.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.4 -41.68 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 170.36 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.93 137.72 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -38.9 125.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.47 -17.87 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.77 136.27 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HD3' ' CD ' ' A' ' 20' ' ' GLN . 17.6 ttmm -103.28 131.92 49.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG21 ' CE ' ' A' ' 87' ' ' MET . 30.5 m -141.07 170.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.521 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.8 m95 -98.52 132.18 44.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.786 HG12 ' HG2' ' A' ' 87' ' ' MET . 32.9 m -132.32 158.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -129.45 128.18 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.953 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.3 tp -61.53 127.7 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.22 -25.42 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 118.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.457 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HB3' HD21 ' A' ' 71' ' ' LEU . 13.9 ptm180 -120.6 125.06 46.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.736 0.303 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.11 124.04 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -116.82 113.99 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -117.99 146.16 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.61 -13.86 11.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.02 -29.32 13.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 3.5 ptm85 -175.55 157.04 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.0 mt -116.71 130.8 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -117.75 128.98 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.45 127.8 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -116.3 128.08 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.438 HD23 HD12 ' A' ' 71' ' ' LEU . 62.5 mt -120.82 152.35 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 89' ' ' VAL . 2.0 m -126.5 149.64 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.786 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.7 mtp -123.69 -29.34 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.94 -10.7 22.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 86' ' ' SER . 23.5 m -111.73 13.14 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.422 HG11 ' HB3' ' A' ' 68' ' ' TRP . 54.0 t -138.22 131.2 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.68 167.52 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -118.4 -11.89 9.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.35 -34.21 7.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 p -126.24 -32.18 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.67 15.47 54.69 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -76.04 146.07 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 30.1 t0 -59.87 131.87 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.3 mt -107.37 -17.95 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -130.45 75.76 78.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -2.02 9.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.427 ' HB3' HG23 ' A' ' 103' ' ' VAL . 77.7 m-20 -88.86 -41.13 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 64.07 43.4 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 101' ' ' ASN . 48.9 t -102.39 -37.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.724 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -61.76 -41.74 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.506 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.5 pp -57.35 -20.13 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.609 0.719 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.75 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.277 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.19 171.76 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.4 tp -66.34 140.54 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 64.37 26.73 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -90.99 135.11 33.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.8 mt -101.21 127.64 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.7 p90 -149.37 164.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -101.0 129.18 46.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.73 163.68 25.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -110.58 140.65 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -67.68 129.68 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.65 -21.99 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.548 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.1 ttt -147.98 139.1 23.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.93 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.1 p -124.71 160.36 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -72.52 1.4 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -126.59 9.75 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.97 -169.81 30.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.98 148.97 34.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 28.6 m-85 -93.2 129.57 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.5 mm -112.79 132.36 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -84.79 125.7 32.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.58 HG12 ' CE1' ' A' ' 19' ' ' PHE . 45.9 mt -88.41 136.03 32.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.646 0.736 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.2 Cg_endo -69.68 135.02 29.58 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.68 72.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.5 m -133.37 172.71 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -110.74 -42.62 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.85 155.04 20.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -117.1 168.52 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 153.62 16.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.18 132.93 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 85' ' ' LEU . 78.5 t -106.09 100.53 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.16 153.45 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -61.28 -31.08 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.6 p -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -95.58 -22.81 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.2 mtp -50.15 -37.81 36.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 27.6 t -152.97 -179.58 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' OG ' ' A' ' 50' ' ' SER . 94.7 p -108.92 -41.76 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.804 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.97 -174.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -59.97 105.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 40.7 t -90.38 124.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.49 -57.75 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.04 90.3 7.7 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.92 33.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.747 2.298 . . . . 0.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -81.38 -17.22 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.02 -10.36 28.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.5 mt -81.28 -32.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.63 170.69 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.28 136.16 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -41.68 121.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.62 -22.23 13.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.92 126.39 32.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.2 ttpp -93.28 132.04 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.08 169.37 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.464 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.7 m95 -98.82 140.81 32.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG3' ' A' ' 87' ' ' MET . 5.4 m -140.04 164.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -133.6 123.07 24.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.968 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.0 tp -60.54 130.8 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -115.34 -24.49 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.47 109.69 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.968 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.2 ptm180 -113.09 126.77 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -137.27 123.9 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.0 ttt -118.11 114.1 22.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -115.01 141.84 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -59.34 -13.72 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 18.6 t0 -101.31 -28.61 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 16.1 mtp180 -166.84 157.08 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.15 129.77 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -130.87 129.06 41.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 71' ' ' LEU . 59.7 t -126.58 129.08 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -111.18 129.47 55.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 71' ' ' LEU . 29.4 mt -125.16 154.9 40.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 89' ' ' VAL . 11.8 t -116.76 151.1 37.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG3' HG12 ' A' ' 69' ' ' VAL . 71.8 mtp -122.35 -35.22 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -67.14 -21.62 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.642 HG22 ' OG ' ' A' ' 86' ' ' SER . 33.2 m -100.54 26.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 22.3 t -148.21 130.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -67.07 132.21 47.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -95.25 43.74 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.04 -34.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 p -125.65 -25.09 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.78 31.69 32.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -96.06 136.39 36.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -55.39 119.39 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.3 -33.46 16.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.04 79.17 42.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.712 0.768 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.0 35.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.733 2.289 . . . . 0.0 112.356 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 -38.48 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.61 49.21 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.01 -35.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.2 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -62.23 -49.08 85.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.06 -21.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.571 0.701 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.3 Cg_endo -69.85 -173.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.274 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.86 -179.37 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.735 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.5 tp -68.97 147.2 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 55.19 26.35 8.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -91.14 132.91 35.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.546 HD11 ' OD2' ' A' ' 97' ' ' ASP . 73.1 mt -101.21 139.07 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 10.1 p90 -154.6 164.13 39.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 10.5 tt0 -98.42 120.59 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' HD3' ' A' ' 66' ' ' LYS . . . -131.55 162.43 23.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.08 140.93 41.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.09 133.42 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -117.7 -23.25 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.29 140.29 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.91 124.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.596 HG21 ' OH ' ' A' ' 29' ' ' TYR . 71.3 p -130.24 162.5 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -72.8 -0.67 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' OH ' HG21 ' A' ' 27' ' ' THR . 13.0 p90 -118.34 6.33 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.85 -167.26 27.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.73 149.18 40.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 43' ' ' LEU . 37.6 m-85 -95.77 124.47 39.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.41 131.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 35.1 mtmt -86.85 125.77 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 36' ' ' PRO . 54.0 mt -86.32 135.63 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.708 0.765 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.7 Cg_endo -69.78 129.94 18.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.35 23.63 75.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.7 t -132.58 167.94 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -111.49 -19.67 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.76 151.2 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.474 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 20.5 mt-30 -118.7 153.88 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.09 149.39 17.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -99.46 140.24 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 54.5 t -113.75 103.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -49.59 151.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 54' ' ' VAL . 6.8 ptt-85 -60.04 -34.44 73.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 47' ' ' THR . 2.8 p -63.27 -25.59 68.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -95.52 -25.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.1 mtp -48.34 -44.54 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -146.36 156.53 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.01 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -60.12 113.66 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 46' ' ' ARG . 61.0 t -86.65 110.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -118.4 -55.22 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 81.76 1.51 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -13.16 34.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -89.04 -11.34 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -99.1 -11.46 21.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.1 mt -83.71 -34.16 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.81 172.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -156.26 168.4 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.44 115.5 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.35 -19.4 9.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -85.69 127.6 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 tppp? -87.44 134.92 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.12 157.4 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.4 m95 -93.09 139.31 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 87' ' ' MET . 2.6 m -143.89 159.37 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 89' ' ' VAL . 24.5 pttt -131.38 133.06 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.967 HD21 ' CG ' ' A' ' 74' ' ' ARG . 20.1 tp -60.83 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.5 pt -112.95 -24.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.96 137.5 4.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.967 ' CG ' HD21 ' A' ' 71' ' ' LEU . 31.0 mtp180 -111.4 124.56 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' LYS . 44.0 mm-40 -142.83 123.74 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -118.09 128.81 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 152.53 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.06 -13.81 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.43 -31.17 12.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -176.06 157.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -87.74 134.44 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLU . 14.8 mmmt -117.66 128.92 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -123.7 128.9 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.538 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.3 m -100.75 125.59 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 59.9 mt -124.7 152.8 43.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 89' ' ' VAL . 48.3 t -121.12 150.1 41.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 77.9 mtp -122.4 -37.62 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -66.63 -11.4 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.831 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -107.32 18.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 68' ' ' TRP . 10.1 t -145.47 142.1 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -72.76 127.31 32.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.22 48.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.41 -39.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -117.32 -20.93 8.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 111.165 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.509 ' HA2' ' CG ' ' A' ' 68' ' ' TRP . . . 80.8 25.56 55.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -94.2 133.71 37.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.546 ' OD2' HD11 ' A' ' 18' ' ' ILE . 3.3 t70 -57.29 125.07 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.1 mt -90.01 -29.78 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 1.6 t70 -129.51 77.18 77.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.696 0.76 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.14 6.44 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -82.39 -25.55 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 48.76 50.76 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.4 p -112.78 -19.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.437 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.1 mp -77.37 -47.53 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.462 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -55.6 -21.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 40' ' ' LYS . 53.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.626 0.727 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.81 178.78 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.312 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.11 175.51 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD23 ' A' ' 71' ' ' LEU . 14.4 tp -67.25 143.92 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.47 25.15 15.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.7 m -86.8 150.64 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' A' ' 97' ' ' ASP . 84.0 mt -113.27 134.69 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CE1' HG23 ' A' ' 69' ' ' VAL . 10.7 p90 -155.75 160.1 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 12.4 tt0 -96.47 125.95 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 159.95 24.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -110.92 144.14 40.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.54 HG21 ' HB ' ' A' ' 61' ' ' VAL . 41.0 t -67.27 132.71 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.717 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . . . -119.58 -21.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.2 ttt -147.87 141.02 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.77 124.73 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 p -121.72 161.24 22.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.47 3.19 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -131.3 16.18 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.96 -163.3 27.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.8 152.09 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -94.37 135.34 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.1 mm -121.92 128.78 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.717 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 9.5 mtmp? -83.57 131.82 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.538 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -85.34 135.41 38.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.3 Cg_endo -69.8 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 32.24 25.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -151.99 -178.7 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -119.53 -33.9 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.16 150.6 46.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -121.92 142.99 49.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.645 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -106.63 153.05 16.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.478 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -101.62 141.15 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' SD ' ' A' ' 87' ' ' MET . 89.0 t -114.01 104.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -54.32 153.53 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.5 mtm105 -58.83 -37.26 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -59.97 -25.91 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 86' ' ' SER . 68.7 m-70 -95.33 -13.82 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.682 ' CE ' HG22 ' A' ' 61' ' ' VAL . 47.8 mtp -71.59 -28.79 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.856 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.4 m -128.18 -178.04 4.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -76.26 -61.04 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -129.75 -66.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.89 132.13 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.856 HG22 ' HB2' ' A' ' 50' ' ' SER . 22.2 t -124.69 86.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.88 -60.66 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -148.38 134.12 9.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.37 25.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.5 p -76.3 -2.48 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -106.47 -12.37 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 49' ' ' MET . 12.9 mt -95.15 -43.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 ' CE ' ' A' ' 49' ' ' MET . 5.3 m -132.41 159.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.14 142.73 24.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -45.04 116.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.44 -23.38 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.58 126.33 32.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -95.6 131.78 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.644 HG21 ' CE ' ' A' ' 87' ' ' MET . 17.8 m -141.11 170.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.2 m95 -96.97 131.5 43.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG12 ' HG2' ' A' ' 87' ' ' MET . 33.2 m -130.64 157.25 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -131.7 128.1 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 15' ' ' LEU . 10.7 tp -60.52 129.45 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 105' ' ' ILE . 17.4 pt -112.36 -28.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.1 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.762 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptm180 -120.21 129.14 53.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.55 125.34 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -112.81 114.24 26.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.83 145.22 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -59.85 -13.96 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.76 -28.97 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -175.27 156.94 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.6 mt -103.87 129.74 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -117.91 124.06 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' HA2' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -133.72 133.13 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -120.02 132.54 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' LEU . 80.6 mt -121.53 157.75 30.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 89' ' ' VAL . 3.2 p -126.91 144.45 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.2 mtp -117.07 -33.4 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -64.21 -27.87 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 86' ' ' SER . 34.8 m -92.91 22.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.0 t -148.5 124.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.23 128.88 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 87' ' ' MET . 19.3 mp0 -90.9 45.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.03 -35.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -123.36 -31.72 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.087 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.6 12.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.25 135.55 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.498 ' CB ' HD11 ' A' ' 18' ' ' ILE . 23.5 t0 -60.54 124.09 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.37 -25.14 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 15.3 p-10 -112.38 75.96 1.85 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.698 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -109.35 -37.45 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.86 44.87 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.05 -22.99 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.438 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -82.51 -40.72 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.446 HG21 HG22 ' A' ' 72' ' ' ILE . 2.6 pp -59.79 -19.85 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 177.33 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.1 tp -67.12 143.12 56.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 60.86 26.72 16.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -89.99 145.75 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 97' ' ' ASP . 62.6 mt -108.91 130.66 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 17.7 p90 -151.39 160.67 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 13.7 tt0 -100.14 125.25 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 163.89 24.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -107.55 141.37 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.551 HG22 ' CD1' ' A' ' 33' ' ' ILE . 38.3 t -67.59 130.9 33.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.41 -25.63 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.414 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 6.7 ttt -147.98 141.12 25.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.35 124.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 p -123.97 157.51 34.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.89 -0.63 9.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -126.77 12.62 7.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.08 -169.47 30.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.45 148.85 31.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 12.6 m-85 -94.61 129.52 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' CD1' HG22 ' A' ' 23' ' ' VAL . 47.9 mm -117.27 134.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' NE2' ' A' ' 41' ' ' GLN . 13.0 mtmm -89.29 132.95 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.2 mt -90.77 137.6 26.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.3 Cg_endo -69.73 121.24 7.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.17 28.69 39.96 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -145.4 164.43 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -101.9 -42.6 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -73.61 149.16 42.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' HD3' ' A' ' 34' ' ' LYS . 75.7 mt-30 -116.16 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.92 161.64 12.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -116.54 138.93 51.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 85' ' ' LEU . 81.3 t -112.2 103.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -47.75 152.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 2.4 ppt_? -58.9 -31.04 68.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -63.85 -42.81 97.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -78.34 -26.1 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.7 mtp -54.16 -30.32 48.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -121.78 176.53 5.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -92.11 -44.37 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.8 m -131.48 -73.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.54 68.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -46.35 -57.43 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -157.94 120.62 2.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.34 30.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -76.25 -4.97 44.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -109.02 -21.48 12.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 mt -72.48 -37.79 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 6.0 m -138.97 174.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -161.89 140.18 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -43.99 125.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.91 -23.37 27.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -81.6 129.42 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 1.1 ttmp? -94.84 131.93 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.04 168.19 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 96.2 m95 -96.73 141.17 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 85' ' ' LEU . 34.0 m -140.32 159.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 90' ' ' VAL . 19.0 ttpt -130.15 128.93 42.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 15' ' ' LEU . 8.2 tp -63.49 135.57 56.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 84' ' ' SER . 5.9 pt -116.13 -33.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.39 123.58 1.3 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.578 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptt85 -111.84 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -130.75 123.98 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtp -117.39 113.98 22.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -117.38 143.29 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.85 -13.98 13.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.97 -29.96 13.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -175.15 156.78 2.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.4 mt -110.14 128.94 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -118.16 129.05 55.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 HD11 ' A' ' 71' ' ' LEU . 96.5 t -131.3 118.95 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.8 m -101.72 134.24 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.701 HD23 HD12 ' A' ' 71' ' ' LEU . 67.5 mt -126.74 158.63 35.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.558 ' CB ' HG22 ' A' ' 89' ' ' VAL . 5.9 t -116.17 147.77 41.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.531 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.0 mtp -124.44 -22.16 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -82.15 -21.89 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 86' ' ' SER . 26.0 m -97.66 9.54 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 11.5 t -129.14 129.13 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -67.16 137.79 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -98.45 47.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.57 -38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.7 p -118.94 -32.64 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.26 28.11 16.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 139.12 31.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.604 ' HB2' HD11 ' A' ' 18' ' ' ILE . 19.1 t0 -60.82 116.92 4.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.6 mt -82.64 -37.79 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.71 78.83 12.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -11.91 31.66 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.3 -44.28 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 71.51 42.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.76 -31.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.9 mp -64.19 -59.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 106' ' ' GLU . 2.6 pp -45.47 -31.6 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.2 tp10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 38' ' ' CYS . 17.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.7 178.54 4.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.742 2.295 . . . . 0.0 112.316 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.55 174.01 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.724 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -69.11 144.06 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 61.46 25.98 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -88.4 138.45 31.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.209 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 ' CB ' ' A' ' 97' ' ' ASP . 82.2 mt -103.87 130.67 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 35' ' ' ILE . 9.2 p90 -151.01 157.98 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 19.4 tt0 -95.9 122.24 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.83 163.78 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -110.54 136.51 49.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -61.07 133.23 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.63 -23.94 8.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -147.99 140.96 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 72.0 t -120.93 123.98 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.1 p -123.51 159.95 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.44 1.49 7.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -127.68 11.43 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.28 -170.99 29.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.564 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.97 147.75 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -93.08 128.14 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 23' ' ' VAL . 37.0 mm -110.07 139.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 15.1 mtpt -95.8 126.57 41.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 36' ' ' PRO . 46.5 mt -85.42 137.21 36.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.74 120.12 6.96 Favored 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.84 44.5 24.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.501 ' SG ' HD23 ' A' ' 12' ' ' LEU . 3.1 m -141.38 -177.58 5.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -115.66 -49.8 2.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -88.5 153.77 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -109.59 160.07 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.8 147.5 17.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 tp -100.78 137.16 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 85' ' ' LEU . 71.7 t -109.92 101.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -48.66 153.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 47' ' ' THR . 15.9 ptt180 -60.54 -35.06 75.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 9.5 t -69.77 -20.89 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -95.43 -20.73 18.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 58.0 mtp -61.62 -39.09 90.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.9 t -153.72 143.57 21.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.9 t -71.92 -48.48 45.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.7 m -52.75 178.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.61 97.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 50' ' ' SER . 19.1 t -72.12 115.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.62 -54.03 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -129.92 95.76 27.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.71 33.58 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 2.4 m -77.88 -7.68 57.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.12 -14.92 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.74 -31.05 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.7 m -145.75 173.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -157.34 134.55 10.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 62' ' ' ASP . 91.6 t -35.35 121.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.11 -22.31 11.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -81.04 126.87 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 32.4 ttmt -95.95 131.98 41.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 ' CE ' ' A' ' 87' ' ' MET . 16.7 m -141.06 170.03 14.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 95.9 m95 -99.98 129.85 46.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 87' ' ' MET . 29.6 m -130.54 158.27 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.2 ttpt -126.47 134.24 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.871 HD21 ' HB3' ' A' ' 74' ' ' ARG . 6.1 tp -65.56 127.02 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.598 HG22 HG21 ' A' ' 105' ' ' ILE . 19.1 pt -110.5 -25.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.38 118.64 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.871 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.4 ptm180 -119.91 126.83 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -139.0 124.03 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.1 mtp -114.71 114.5 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -117.77 143.9 45.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.04 -13.99 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.97 -28.96 13.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -175.03 157.02 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.6 mt -112.57 131.93 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -119.34 128.92 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.32 125.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.48 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.3 m -113.11 127.41 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' HD12 ' A' ' 71' ' ' LEU . 43.6 mt -120.83 148.4 44.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.438 ' OG ' HG22 ' A' ' 89' ' ' VAL . 19.0 t -120.21 149.3 42.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.669 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.9 mtp -122.27 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.37 -22.91 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.485 HG21 ' HE2' ' A' ' 70' ' ' LYS . 32.7 m -98.93 12.54 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 70' ' ' LYS . 42.6 t -134.61 130.65 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.76 124.83 24.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -88.98 41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.29 -33.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.9 p -128.46 -28.71 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.13 28.3 15.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -91.69 138.04 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.441 ' CB ' HD11 ' A' ' 18' ' ' ILE . 17.1 t0 -62.7 116.93 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.2 mt -82.12 -21.72 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 19.4 p-10 -127.2 78.37 74.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.723 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 0.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.783 2.322 . . . . 0.0 112.278 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -98.89 -37.62 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 62.33 51.77 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.4 t -111.23 -14.47 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.35 -56.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.598 HG21 HG22 ' A' ' 72' ' ' ILE . 2.5 pp -46.52 -27.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 105' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.624 0.726 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 179.28 3.76 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.94 -178.54 4.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.737 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.4 tp -69.72 148.44 49.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 55.98 28.33 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.1 m -90.69 136.58 32.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 97' ' ' ASP . 93.3 mt -101.85 130.02 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 69' ' ' VAL . 7.6 p90 -149.14 159.29 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' CZ2' ' A' ' 68' ' ' TRP . 24.5 tt0 -95.34 122.15 37.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.78 159.58 22.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -109.68 134.83 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.606 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.4 t -63.54 132.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . . . -118.48 -22.08 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -147.87 139.89 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 84.4 t -124.91 125.37 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.6 p -129.66 161.1 31.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.37 0.58 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -123.24 9.81 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.09 -167.64 27.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.89 147.14 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 43' ' ' LEU . 12.8 m-85 -93.33 134.6 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.7 mm -120.77 133.97 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 24' ' ' ALA . 28.3 mttm -85.4 123.03 30.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 59.4 mt -71.79 136.52 82.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.6 Cg_endo -69.72 126.57 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.89 33.08 78.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -141.75 -179.39 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -114.41 -49.3 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' A' ' 81' ' ' ILE . 22.3 mmtm -71.09 151.6 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -116.89 165.33 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 145.92 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.7 tp -96.27 138.9 33.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.5 t -112.95 106.69 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.408 ' HB3' HG22 ' A' ' 47' ' ' THR . 5.4 t-160 -53.61 148.33 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.847 ' O ' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.92 -31.37 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 45' ' ' HIS . 14.7 t -66.43 -29.46 69.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -87.93 -16.11 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.2 mtp -72.83 -47.3 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' VAL . 1.3 m -107.11 170.82 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -53.17 -69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.9 t -128.19 -71.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -77.81 137.56 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.847 HG21 ' O ' ' A' ' 46' ' ' ARG . 12.1 t -128.06 87.4 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.61 -68.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 18.3 mmtm -133.41 96.91 16.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.5 Cg_endo -69.82 -12.86 33.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.276 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 60.8 p -78.44 -7.76 57.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.08 -4.09 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.2 mt -87.27 -32.79 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 23.0 m -133.59 -175.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -161.97 139.8 8.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -49.82 119.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.7 -20.67 10.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.61 131.93 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -94.74 135.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 m -141.23 169.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 97.7 m95 -99.74 130.52 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 19' ' ' PHE . 29.7 m -129.78 156.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.6 ttpp -128.77 126.94 41.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 15' ' ' LEU . 7.7 tp -59.51 127.78 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.552 HG21 ' HB2' ' A' ' 86' ' ' SER . 14.1 pt -111.55 -23.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.77 125.56 1.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 71' ' ' LEU . 15.1 ptt85 -118.38 130.0 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.39 125.8 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.6 mtm -114.39 115.02 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 147.53 26.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.9 -13.83 12.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.26 156.88 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.714 HD12 ' HE2' ' A' ' 40' ' ' LYS . 96.8 mt -94.98 130.45 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -115.47 129.08 56.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG13 HD11 ' A' ' 71' ' ' LEU . 60.1 t -131.28 127.7 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -112.12 129.46 56.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.775 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.8 mt -122.62 161.82 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.552 ' HB2' HG21 ' A' ' 72' ' ' ILE . 33.4 t -128.48 149.62 50.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.566 ' CG ' HG12 ' A' ' 69' ' ' VAL . 73.2 mtp -124.35 -33.19 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -63.15 -15.99 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG22 ' OG ' ' A' ' 86' ' ' SER . 32.7 m -104.82 1.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 21.4 t -128.07 132.38 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.64 142.7 42.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 25.2 mp0 -99.24 -11.6 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.07 -29.56 22.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -127.96 -40.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.24 30.61 8.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -99.64 148.31 24.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 18' ' ' ILE . 27.0 t0 -62.49 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.6 mt -97.78 -34.22 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -119.99 76.16 22.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -11.17 30.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -76.14 -32.89 59.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 54.9 47.65 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 103' ' ' VAL . 63.4 t -112.63 -9.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.95 -47.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.549 HG21 HG22 ' A' ' 72' ' ' ILE . 2.3 pp -53.31 -23.17 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' N ' HD12 ' A' ' 105' ' ' ILE . 55.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.685 0.755 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 53.8 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.83 174.64 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.4 tp -67.21 142.8 56.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 62.55 26.61 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -87.48 135.8 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -101.67 127.82 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CE1' HG12 ' A' ' 35' ' ' ILE . 14.6 p90 -149.55 163.63 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.9 tt0 -101.89 124.48 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.59 159.11 23.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -103.43 142.11 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -68.6 125.17 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.12 -22.85 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 ttt -148.0 140.38 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 61' ' ' VAL . 53.5 t -121.88 124.08 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.45 HG21 ' CZ ' ' A' ' 29' ' ' TYR . 52.3 p -128.74 163.48 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' CZ ' HG21 ' A' ' 27' ' ' THR . 26.1 p90 -119.51 8.48 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.92 -170.16 25.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.23 151.05 43.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -93.45 128.99 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 23' ' ' VAL . 49.9 mm -114.6 125.26 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 68.6 mttt -83.12 124.27 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 36' ' ' PRO . 49.2 mt -79.92 138.07 53.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.82 129.27 17.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.95 33.44 70.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -138.71 178.45 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -113.14 -53.15 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -75.12 153.98 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 53.9 mt-30 -115.26 164.86 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -119.93 153.33 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.88 136.08 45.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.1 t -110.32 115.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.622 ' ND1' HG22 ' A' ' 47' ' ' THR . 6.0 t-160 -53.69 142.37 23.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' THR . 12.4 ptt-85 -59.8 -31.54 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.622 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.0 t -77.87 -16.72 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 88' ' ' LYS . 22.8 m-70 -92.9 -27.63 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 61' ' ' VAL . 13.3 mtm -54.93 -41.01 70.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.68 145.4 51.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -64.59 -64.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.22 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -64.62 133.38 52.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -114.41 140.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.86 -30.18 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -132.27 83.32 55.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -21.56 33.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.27 . . . . 0.0 112.409 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 m -69.57 -9.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -106.88 -11.38 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.0 mt -84.57 -39.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 26' ' ' VAL . 2.9 m -128.22 155.64 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.054 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -148.22 137.38 21.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.55 118.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.11 -21.42 9.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.42 135.72 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 17.3 ttpt -100.64 132.4 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -141.02 167.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' HB3' HG11 ' A' ' 90' ' ' VAL . 96.8 m95 -98.97 135.71 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.97 HG12 ' HG2' ' A' ' 87' ' ' MET . 10.8 m -136.72 161.28 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.722 ' CE ' HG21 ' A' ' 89' ' ' VAL . 11.6 ttpp -130.73 130.28 43.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.843 HD21 ' HB3' ' A' ' 74' ' ' ARG . 7.5 tp -62.64 126.53 27.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.3 pt -110.93 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.46 119.3 0.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.843 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.0 ptm180 -119.3 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.814 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -139.87 124.25 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -116.65 114.14 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -117.21 146.13 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.63 -13.98 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.87 -29.69 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -175.28 157.0 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.75 123.94 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -108.55 127.63 54.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.06 126.47 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -120.32 133.86 55.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.784 ' HB2' HG22 ' A' ' 44' ' ' VAL . 5.7 mt -126.68 160.48 30.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 p -131.71 149.4 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.97 ' HG2' HG12 ' A' ' 69' ' ' VAL . 51.3 mtp -123.44 -15.06 7.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HD3' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -71.94 -18.08 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.722 HG21 ' CE ' ' A' ' 70' ' ' LYS . 30.8 m -102.75 3.52 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.507 HG11 ' HB3' ' A' ' 68' ' ' TRP . 60.1 t -130.97 129.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 98' ' ' LEU . 5.8 t-20 -64.49 162.85 14.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -112.02 -29.74 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.75 -28.19 73.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 p -134.87 -39.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 18.16 19.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -81.28 145.3 30.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.01 137.87 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 91' ' ' ASN . 55.5 mt -111.89 -24.25 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -133.37 81.01 56.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.6 Cg_endo -69.78 -2.71 10.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.5 t-20 -80.44 -30.3 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER 48.41 40.37 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 101' ' ' ASN . 62.2 t -108.93 -34.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.729 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.4 mp -53.72 -42.38 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.4 pp -52.7 -25.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.8 Cg_endo -69.81 167.77 23.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.263 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.19 176.91 9.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.8 tp -66.92 143.74 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.62 28.01 16.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -89.16 137.53 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.06 128.86 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 35' ' ' ILE . 18.4 p90 -151.48 159.78 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 16.7 tt0 -98.07 128.78 44.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.21 164.02 25.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.63 138.05 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -65.17 129.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.49 -22.06 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 5.2 ttt -147.6 138.52 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.02 123.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.3 p -126.25 160.76 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 2.13 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -125.58 10.12 7.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.39 -168.05 28.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.03 151.22 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 5.7 m-85 -95.29 126.19 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.0 mm -112.32 118.65 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -77.44 130.7 37.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 36' ' ' PRO . 40.8 mt -88.18 137.64 31.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 0.0 111.138 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.8 128.16 15.6 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 35.08 61.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.5 m -139.14 176.97 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -116.63 -30.44 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HE2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.26 156.3 31.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.03 160.21 13.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.59 139.33 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.375 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 85' ' ' LEU . 79.0 t -112.12 110.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.18 152.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 47' ' ' THR . 7.9 ptt-85 -60.57 -35.85 77.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 5.3 t -67.84 -24.15 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.776 ' CE1' HG22 ' A' ' 105' ' ' ILE . 37.5 m-70 -95.08 -19.58 20.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.435 ' CE ' HG22 ' A' ' 61' ' ' VAL . 41.7 mtp -59.88 -25.55 65.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -169.56 147.19 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -75.79 -51.39 12.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.17 177.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 18.9 ttm105 -60.75 101.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.652 HG13 HD11 ' A' ' 60' ' ' ILE . 92.4 t -75.86 97.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.1 -46.9 17.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -152.35 126.1 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 54.1 Cg_endo -69.68 -13.38 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.774 2.316 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.3 p -74.25 -25.32 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.33 -7.14 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.652 HD11 HG13 ' A' ' 54' ' ' VAL . 32.6 mt -85.12 -35.15 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CE ' ' A' ' 49' ' ' MET . 27.2 m -153.68 179.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.55 138.36 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 23' ' ' VAL . 90.1 t -40.68 114.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.77 -23.6 6.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 137.05 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 34.1 ttpt -101.76 131.92 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.494 HG21 ' CE ' ' A' ' 87' ' ' MET . 36.0 m -140.95 169.97 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -98.58 133.83 42.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.745 HG12 ' HG2' ' A' ' 87' ' ' MET . 27.5 m -136.04 156.55 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -130.15 126.47 37.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 74' ' ' ARG . 11.4 tp -59.41 128.91 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.53 ' CG2' HG21 ' A' ' 105' ' ' ILE . 9.7 pt -110.38 -29.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.98 109.96 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.892 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptm180 -111.88 129.85 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -134.99 123.77 23.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt -118.32 113.94 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -116.72 144.38 44.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -13.75 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 15.0 m-20 -98.16 -31.5 12.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 28.0 mtp180 -167.18 157.14 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 ' HE2' ' A' ' 40' ' ' LYS . 85.9 mt -118.68 127.0 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -123.75 128.96 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 71' ' ' LEU . 58.9 t -127.98 129.1 69.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -112.89 131.28 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.829 HD23 HD12 ' A' ' 71' ' ' LEU . 60.6 mt -125.01 151.5 45.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' HG21 ' A' ' 72' ' ' ILE . 16.8 p -121.3 151.27 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.745 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.8 mtp -126.06 -27.79 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.03 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 86' ' ' SER . 27.8 m -111.85 28.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.408 HG11 ' HB3' ' A' ' 68' ' ' TRP . 38.7 t -149.76 131.58 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.95 131.68 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -93.21 38.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -143.27 -43.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.1 p -118.98 -23.68 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.83 21.98 51.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -82.58 136.58 34.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.66 121.89 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.73 -28.38 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t70 -125.06 79.46 65.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.07 4.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.44 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 0.9 OUTLIER -90.87 -34.18 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.1 OUTLIER 47.55 51.5 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.0 -21.61 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -61.75 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.776 HG22 ' CE1' ' A' ' 48' ' ' HIS . 2.7 pp -54.85 -23.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.7 Cg_endo -69.78 169.02 19.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.247 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 174.92 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.2 tp -65.28 140.77 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 20.0 m-85 62.99 28.02 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.6 m -90.08 135.8 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -101.31 130.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 11.2 p90 -151.55 160.2 43.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 15.4 tt0 -96.39 127.07 42.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.12 161.44 25.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -108.31 141.06 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 33' ' ' ILE . 41.7 t -67.47 133.35 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.96 -23.72 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.1 ttt -145.43 140.52 27.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -124.58 125.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 31.5 p -129.78 162.11 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.05 0.02 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 39.7 p90 -119.42 1.02 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.26 -163.12 30.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.32 147.98 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 43' ' ' LEU . 58.9 m-85 -93.69 135.3 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' HG22 ' A' ' 23' ' ' VAL . 24.6 mm -120.96 127.83 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 26.3 mtmt -81.22 128.28 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 61.3 mt -85.8 136.06 37.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.74 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.15 11.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.426 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -156.39 174.86 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -111.27 -44.31 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -74.01 143.92 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 24.4 mt-30 -117.01 154.71 30.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.0 160.81 15.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.9 tp -111.56 134.77 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 85' ' ' LEU . 92.7 t -107.06 108.5 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.64 149.35 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.02 -31.15 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -67.25 -31.86 72.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.786 ' HE1' HG22 ' A' ' 105' ' ' ILE . 91.7 m-70 -90.63 -28.46 18.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.3 mtp -44.17 -33.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 54' ' ' VAL . 32.5 t -154.19 160.87 42.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t -84.85 -50.14 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.03 178.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 13.8 ttm105 -60.01 108.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.6 t -88.72 110.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -111.46 -35.56 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 45.2 mttp -133.37 88.95 33.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.9 Cg_endo -69.78 -20.64 34.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -73.09 -12.12 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -102.56 -6.15 23.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.42 -39.7 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.05 167.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.19 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.09 139.61 20.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.0 116.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.66 -18.86 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -86.56 136.9 32.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 25.0 ttpt -100.11 131.91 45.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.1 m -141.04 170.09 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -100.23 129.9 46.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG2' ' A' ' 87' ' ' MET . 24.3 m -128.59 161.92 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.2 ttpp -134.18 125.83 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.84 HD21 ' HB3' ' A' ' 74' ' ' ARG . 14.8 tp -58.93 129.84 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 86' ' ' SER . 6.0 pt -113.11 -24.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 113.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.84 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.6 ptm180 -117.77 130.75 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -141.46 124.02 15.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.61 114.04 24.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.03 143.83 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -60.14 -13.86 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.32 -27.49 13.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 2.6 ptm85 -175.1 153.06 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.59 129.18 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.52 124.14 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.5 m -131.25 133.17 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -126.34 141.25 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 71' ' ' LEU . 20.3 mt -129.22 162.79 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.727 ' OG ' HG22 ' A' ' 89' ' ' VAL . 31.4 t -126.12 146.78 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.8 mtp -121.44 -21.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -78.58 -12.88 60.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.727 HG22 ' OG ' ' A' ' 86' ' ' SER . 34.1 m -104.8 13.09 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -138.08 129.49 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -61.35 133.28 55.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -98.57 50.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.61 -35.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.8 p -125.16 -21.2 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.31 28.23 41.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -90.51 137.41 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 130.24 45.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -106.18 -5.33 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -131.36 81.15 66.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.893 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.42 3.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.653 ' ND2' HG12 ' A' ' 103' ' ' VAL . 25.0 p-10 -112.47 -30.75 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.481 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER 49.62 52.61 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.653 HG12 ' ND2' ' A' ' 101' ' ' ASN . 10.6 p -119.66 -21.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.62 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.8 mp -52.28 -45.53 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.786 HG22 ' HE1' ' A' ' 48' ' ' HIS . 2.6 pp -63.15 -19.12 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 40' ' ' LYS . 33.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.31 -176.16 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -71.34 144.61 49.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 60.76 29.09 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.9 m -90.61 133.99 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 95' ' ' GLY . 84.9 mt -102.14 127.41 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -149.53 161.36 42.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 12.8 tt0 -96.07 130.09 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 163.43 25.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -113.38 142.48 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HB ' ' A' ' 61' ' ' VAL . 40.5 t -66.79 134.24 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.43 -20.81 5.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.9 ttt -146.95 140.34 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.54 124.02 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.7 p -126.07 157.9 36.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -5.61 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -116.31 6.47 13.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.25 -166.35 28.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.62 151.53 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 43' ' ' LEU . 53.4 m-85 -96.83 134.96 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG11 ' A' ' 69' ' ' VAL . 50.2 mm -116.42 131.43 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -85.71 127.28 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.0 mt -82.18 134.07 49.76 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 0.0 111.196 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.77 133.35 25.35 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.2 28.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.28 175.31 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.31 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -112.36 -38.46 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.3 tppt? -72.0 145.36 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -114.67 154.8 27.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -115.36 148.13 18.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.0 tp -97.14 140.74 31.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.878 HG22 ' HB2' ' A' ' 85' ' ' LEU . 47.0 t -115.7 116.38 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.609 ' ND1' HG22 ' A' ' 47' ' ' THR . 5.1 t-160 -53.44 144.09 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.03 -32.46 69.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' ND1' ' A' ' 45' ' ' HIS . 10.5 t -77.99 -16.46 58.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -93.53 -17.26 23.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.401 ' CE ' ' CB ' ' A' ' 57' ' ' PRO . 26.4 mtm -69.36 -34.33 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -146.3 144.55 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 p -79.23 -47.69 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.16 -177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 5.7 tmm_? -59.88 132.78 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 60' ' ' ILE . 16.3 t -119.04 119.71 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.51 -44.3 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -147.85 121.95 4.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.571 0.701 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' CB ' ' CE ' ' A' ' 49' ' ' MET . 53.6 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -75.53 -17.91 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -103.76 5.99 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.932 HD11 HG13 ' A' ' 54' ' ' VAL . 15.6 mt -105.76 -36.46 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 31' ' ' ALA . 4.4 m -133.44 162.37 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -154.44 141.64 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -49.89 121.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.33 -27.73 7.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.98 126.91 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -94.59 131.96 39.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.4 m -141.13 170.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.508 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.4 m95 -99.01 133.2 43.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.7 m -131.3 155.51 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -129.66 126.56 38.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.803 HD12 HD23 ' A' ' 85' ' ' LEU . 6.1 tp -61.12 130.13 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 HG21 ' A' ' 105' ' ' ILE . 11.0 pt -117.2 -19.67 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.47 115.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.679 ' HB3' HD21 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -117.35 123.12 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.811 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -132.44 123.72 27.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 ptm -118.26 119.12 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 6.1 tmtm? -115.18 149.68 37.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 54.7 m-20 -59.85 -14.01 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' H ' ' CD ' ' A' ' 77' ' ' LYS . 2.6 t70 -98.24 -28.69 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 82' ' ' LYS . 19.9 ptt180 -175.17 156.58 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.89 128.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mtpm? -128.3 129.18 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 71' ' ' LEU . 21.5 t -116.0 132.46 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -103.64 130.2 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.878 ' HB2' HG22 ' A' ' 44' ' ' VAL . 49.1 mt -126.43 155.72 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -130.22 145.05 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.713 ' HG2' HG12 ' A' ' 69' ' ' VAL . 70.1 mtp -120.79 -21.71 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -72.99 -9.98 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.12 11.71 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.17 142.17 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -76.98 125.39 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.07 45.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.53 -35.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.6 p -124.32 -26.21 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 18' ' ' ILE . . . 82.44 31.23 31.19 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -96.35 133.77 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.85 123.12 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -92.87 -30.35 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.45 79.93 60.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.18 9.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -87.6 -27.81 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.78 42.51 31.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -26.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.513 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -69.85 -46.3 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -51.84 -25.31 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.586 0.707 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.12 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.01 179.6 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.5 tp -68.9 149.4 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 102' ' ' ASN . 43.8 m-85 54.88 25.07 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -84.4 133.98 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -101.41 128.52 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 10.9 p90 -149.28 164.2 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 11.1 tt0 -97.01 127.13 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.16 163.87 25.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -111.71 146.44 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.46 125.43 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.2 -20.73 11.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 ttt -146.59 135.12 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.55 123.95 72.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -128.2 160.93 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -7.35 40.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -114.36 10.9 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.45 -166.59 26.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.97 151.84 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -94.45 132.14 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.704 HG13 HG11 ' A' ' 69' ' ' VAL . 43.2 mm -114.0 131.32 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -85.82 127.41 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 19' ' ' PHE . 64.3 mt -86.82 130.15 49.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.85 7.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.614 2.209 . . . . 0.0 112.377 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.21 27.69 24.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.8 m -145.47 176.54 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -114.93 -24.99 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -93.08 151.74 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -121.25 149.69 42.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.642 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.61 157.3 16.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.63 140.77 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.5 t -112.4 111.3 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' ND1' HG22 ' A' ' 47' ' ' THR . 7.0 t-160 -54.06 149.14 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.05 -33.78 72.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' ND1' ' A' ' 45' ' ' HIS . 12.5 t -71.01 -22.38 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.1 -10.67 32.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.0 mtp -68.16 -36.75 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.692 ' HB3' HG22 ' A' ' 54' ' ' VAL . 2.0 t -151.96 146.11 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -73.06 -44.89 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m -61.63 -177.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -63.52 100.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 50' ' ' SER . 34.3 t -82.6 114.93 24.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -112.88 -48.96 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -124.15 97.66 40.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -12.73 33.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -80.61 -19.52 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -93.47 -3.07 53.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mt -93.33 -36.11 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.4 171.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.96 148.21 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.32 113.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.11 -25.35 5.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.47 136.1 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 22.5 ttpt -101.77 131.83 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.13 170.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.0 m95 -97.98 132.67 43.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.754 HG12 ' CG ' ' A' ' 87' ' ' MET . 34.0 m -128.86 163.63 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.4 ttmt -136.77 126.34 25.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.7 tp -62.67 133.64 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 86' ' ' SER . 8.0 pt -118.4 -23.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.38 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.992 ' HB3' HD21 ' A' ' 71' ' ' LEU . 17.3 ptt-85 -118.21 129.98 55.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.297 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -144.76 123.95 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.46 114.16 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -116.3 148.8 40.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -13.88 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -94.22 -32.4 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 82' ' ' LYS . 17.3 ptm180 -175.76 157.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.81 118.45 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -104.54 124.87 50.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.642 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.3 m -134.12 133.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -125.47 134.76 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.628 ' HB2' HG22 ' A' ' 44' ' ' VAL . 21.1 mt -125.06 161.25 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 8.1 t -135.12 142.68 46.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.754 ' CG ' HG12 ' A' ' 69' ' ' VAL . 53.6 mtp -112.78 -29.72 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -61.98 -19.36 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.467 HG12 ' OD2' ' A' ' 99' ' ' ASP . 4.1 m -102.62 21.32 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 16.8 t -148.18 134.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.9 124.51 24.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -86.24 51.11 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.93 -34.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -125.12 -31.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.04 28.59 17.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.14 134.56 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -56.34 116.53 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.97 -35.33 17.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.707 ' OD1' HD13 ' A' ' 104' ' ' ILE . 2.9 m-20 -113.96 76.46 3.32 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.648 0.737 . . . . 0.0 110.941 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -19.41 36.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.44 -42.22 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 8.9 m-80 67.31 42.86 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.72 -17.55 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.707 HD13 ' OD1' ' A' ' 99' ' ' ASP . 4.3 mp -79.18 -53.9 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -49.85 -25.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.639 0.733 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.72 175.94 7.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 172.39 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HA ' HD23 ' A' ' 71' ' ' LEU . 17.9 tp -65.97 145.2 56.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 23.3 m-85 58.72 26.97 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 m -89.88 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.97 132.8 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -154.49 164.68 38.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.557 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 8.5 tt0 -100.47 123.47 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.09 162.46 23.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -108.61 138.8 44.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 33' ' ' ILE . 46.5 t -67.65 126.11 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.36 -21.86 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.515 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.7 ttt -147.61 139.75 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.06 123.98 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p -128.74 160.79 31.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -6.56 40.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -117.36 11.72 14.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.93 -168.96 27.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.08 148.66 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 14.4 m-85 -93.33 134.65 35.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 23' ' ' VAL . 11.5 mm -121.25 131.76 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 44.5 mttt -84.8 130.09 34.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 36' ' ' PRO . 55.9 mt -89.77 137.47 28.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.724 . . . . 0.0 111.188 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.1 Cg_endo -69.78 123.35 10.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.94 36.37 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 96.2 m -146.25 170.19 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -109.12 -37.21 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmtm -88.76 152.04 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 23.1 mt-30 -115.51 164.47 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.0 150.76 18.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.56 134.81 41.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB2' ' A' ' 85' ' ' LEU . 82.8 t -105.93 110.93 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.27 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -59.21 -32.09 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 13.4 t -64.89 -32.03 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.56 -12.89 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.1 mtp -64.13 -24.65 67.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.733 ' HB3' HG22 ' A' ' 54' ' ' VAL . 13.4 t -162.85 147.72 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -68.16 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 96.6 m -47.16 171.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.7 99.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 50' ' ' SER . 48.0 t -68.18 119.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -46.4 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 21.0 mtmm -140.68 104.92 6.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.7 -19.53 36.3 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 t -72.55 -10.21 59.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -106.34 1.19 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mt -90.89 -36.56 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG21 HG21 ' A' ' 23' ' ' VAL . 2.4 m -144.44 177.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -154.79 138.71 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -38.83 122.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -22.81 19.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.15 130.77 35.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.3 ttmt -94.66 131.96 39.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.06 170.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.557 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 99.2 m95 -99.68 132.51 44.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.6 m -134.85 158.28 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 89' ' ' VAL . 20.0 ttpt -128.69 131.05 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 74' ' ' ARG . 5.9 tp -64.23 128.71 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 pt -110.17 -30.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.36 114.18 0.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.94 ' HB3' HD21 ' A' ' 71' ' ' LEU . 8.9 ptt85 -116.91 129.97 56.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.02 123.81 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.4 mtp -118.03 113.96 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -116.52 143.91 45.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -59.36 -13.8 9.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 32.7 t70 -97.99 -30.06 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 24.5 mtt180 -168.64 157.15 8.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.497 HD12 ' HE2' ' A' ' 40' ' ' LYS . 52.3 mt -116.94 129.02 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -122.29 129.08 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.07 128.45 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -121.27 132.74 54.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.837 ' CD2' HD12 ' A' ' 71' ' ' LEU . 10.5 mt -124.58 160.73 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.588 ' HB2' HG22 ' A' ' 89' ' ' VAL . 2.8 p -126.57 151.04 48.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 69' ' ' VAL . 71.1 mtp -124.94 -24.84 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -72.89 -19.57 61.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' SER . 30.5 m -96.91 5.5 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -129.66 144.94 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -77.63 151.67 34.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -105.03 -12.63 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.51 -47.39 4.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -117.38 -24.12 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.53 56.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -72.63 160.48 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -78.17 127.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.0 mt -95.86 -28.77 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.56 77.47 75.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.389 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.56 -40.09 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 1.4 m-80 65.44 51.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -118.73 -13.67 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.5 mp -90.39 -37.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.623 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.25 -21.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.9 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.91 173.77 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.0 tp -65.91 141.99 58.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 62.89 25.32 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -90.51 135.23 33.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -101.34 126.69 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 11.6 p90 -143.01 162.94 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 20.9 tt0 -100.58 121.97 42.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.53 163.94 24.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -109.74 137.45 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 33' ' ' ILE . 54.9 t -63.48 133.24 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.64 -20.71 8.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.521 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 8.7 ttt -148.05 139.71 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.18 124.0 71.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.9 p -123.3 159.47 28.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.52 0.85 9.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -128.39 11.64 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.04 -167.46 31.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.72 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.2 m-85 -93.44 136.89 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.577 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.4 mm -121.67 129.36 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -82.5 129.86 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -87.46 138.02 32.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.777 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.1 Cg_endo -69.71 112.91 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.1 43.91 7.32 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.9 m -150.73 177.9 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -116.72 -35.77 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CE ' ' HB ' ' A' ' 81' ' ' ILE . 9.0 tptp -88.34 144.64 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -108.4 161.19 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.75 142.24 17.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 tp -93.59 137.65 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.692 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.3 t -109.72 105.79 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.65 ' ND1' HG22 ' A' ' 47' ' ' THR . 13.4 t-160 -51.86 146.04 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -60.5 -32.16 71.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.2 t -67.61 -22.95 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -94.97 -23.96 17.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 57' ' ' PRO . 23.8 mtp -50.37 -53.01 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -132.42 145.29 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -67.1 -58.12 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.4 m -59.59 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -60.37 146.55 43.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.17 137.02 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.36 -40.92 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -145.9 105.02 4.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 54.2 Cg_endo -69.77 -15.69 37.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -74.81 -12.24 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -102.81 -5.19 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.3 mt -85.14 -41.05 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.53 171.4 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.3 144.1 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.32 116.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.19 -22.51 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -84.1 128.72 34.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 21.4 ttpt -97.35 134.25 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.99 169.36 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.4 m95 -99.45 133.11 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.902 HG12 ' HG2' ' A' ' 87' ' ' MET . 12.6 m -139.17 157.84 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.923 ' HE3' HG21 ' A' ' 89' ' ' VAL . 9.9 pttp -126.8 137.89 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.6 tp -66.31 130.85 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 84' ' ' SER . 4.6 pt -111.78 -23.43 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.28 112.94 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.8 ptm180 -109.43 122.95 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -131.74 123.87 28.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' MET . 3.3 ppp? -117.97 121.48 40.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -117.24 148.55 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -13.78 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -100.33 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -175.79 154.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.422 ' HB ' ' CE ' ' A' ' 40' ' ' LYS . 60.9 mt -119.05 122.27 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -115.56 129.08 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.8 t -121.29 128.39 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 72' ' ' ILE . 1.9 m -106.73 130.27 54.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' HB2' HG22 ' A' ' 44' ' ' VAL . 50.9 mt -125.64 159.93 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.527 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.2 t -128.3 154.0 46.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.902 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.5 mtp -124.75 -35.51 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -62.12 -11.29 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.923 HG21 ' HE3' ' A' ' 70' ' ' LYS . 28.9 m -108.88 20.5 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 68' ' ' TRP . 11.0 t -146.13 141.9 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.154 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -76.93 129.8 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -89.26 38.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.74 -36.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 p -122.74 -21.6 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.153 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.72 21.93 60.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -84.12 137.15 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.02 127.85 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.7 mt -96.14 -15.99 21.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 16.9 p-10 -129.08 78.9 75.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.846 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 1.16 4.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -99.6 -37.17 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.72 47.49 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 101' ' ' ASN . 61.5 t -111.83 -12.16 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.1 mp -84.02 -46.31 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.6 pp -59.35 -19.65 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 -173.89 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.93 -178.42 4.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 71' ' ' LEU . 28.9 tp -69.23 147.84 50.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 57.73 25.61 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -89.46 143.71 26.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 97' ' ' ASP . 91.7 mt -109.78 135.86 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.1 p90 -156.56 163.39 39.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' CD ' ' HE2' ' A' ' 66' ' ' LYS . 31.3 tt0 -95.08 127.83 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.5 157.63 23.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -107.65 140.11 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 61' ' ' VAL . 31.6 t -67.62 128.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.73 -24.46 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttt -143.03 139.37 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -120.54 124.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -123.14 159.66 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.39 0.28 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -127.54 11.36 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.1 -164.44 29.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -150.84 150.04 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -93.39 134.45 35.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 69' ' ' VAL . 51.2 mm -115.62 129.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 44.8 mtmt -85.04 126.46 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.6 mt -85.95 133.67 40.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.4 Cg_endo -69.8 118.74 5.86 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.82 36.47 11.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.1 m -147.44 177.14 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -115.07 -33.44 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HE3' HD12 ' A' ' 81' ' ' ILE . 32.8 mmtt -90.61 155.63 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -123.13 155.15 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.05 160.4 13.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -108.89 138.67 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 85' ' ' LEU . 58.5 t -112.89 115.87 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.601 ' ND1' HG22 ' A' ' 47' ' ' THR . 3.3 t-160 -54.43 143.04 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 47' ' ' THR . 7.9 ppt_? -58.89 -31.27 68.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.601 HG22 ' ND1' ' A' ' 45' ' ' HIS . 6.8 t -77.99 -14.07 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -96.79 -19.06 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mtm -68.74 -36.69 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 t -144.75 140.34 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -80.2 -51.46 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -48.12 176.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -59.89 98.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 60' ' ' ILE . 2.8 t -78.83 125.96 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -108.03 -47.44 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -142.57 113.64 6.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -16.89 37.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -77.03 -11.72 59.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.13 0.35 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 54' ' ' VAL . 22.0 mt -99.47 -32.03 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 31' ' ' ALA . 3.9 m -134.88 152.83 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.98 143.31 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.29 115.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.21 -21.67 7.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.62 127.81 34.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HE2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.51 133.76 39.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.2 m -141.23 164.46 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.13 129.87 37.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 87' ' ' MET . 33.0 m -127.74 155.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HE2' HG21 ' A' ' 89' ' ' VAL . 20.4 ttpt -130.87 126.96 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 15' ' ' LEU . 13.8 tp -63.56 128.81 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 105' ' ' ILE . 17.5 pt -111.66 -24.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.24 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.76 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptt85 -121.58 123.13 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -130.39 124.01 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 mtp -113.45 113.97 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -116.81 145.61 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.74 -13.88 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 -31.66 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -175.38 157.04 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.578 HD12 ' HE3' ' A' ' 40' ' ' LYS . 60.4 mt -103.3 124.61 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -107.52 128.88 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.63 120.06 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 129.31 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 44' ' ' VAL . 19.5 mt -122.8 161.36 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -134.44 144.97 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.634 ' CG ' HG12 ' A' ' 69' ' ' VAL . 75.3 mtp -117.44 -24.24 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -66.84 -13.99 62.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.535 HG21 ' HE2' ' A' ' 70' ' ' LYS . 34.3 m -108.9 17.35 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 t -141.78 138.05 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.65 128.98 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -91.92 52.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.56 -36.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -123.22 -26.92 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.92 29.78 22.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.426 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -94.17 134.68 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.521 ' CG ' HD11 ' A' ' 18' ' ' ILE . 20.0 t0 -59.53 123.18 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.72 -33.99 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' A' ' 104' ' ' ILE . 5.3 t70 -112.34 75.69 1.76 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -10.89 29.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.24 -37.53 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 59.57 48.33 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -105.6 -28.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.7 mp -70.43 -48.98 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 72' ' ' ILE . 2.4 pp -51.69 -25.74 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.8 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.673 0.749 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.89 13.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.5 178.05 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -67.33 152.83 45.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 51.56 27.05 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -89.42 140.06 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -107.64 131.55 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 69' ' ' VAL . 12.5 p90 -149.56 165.11 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 21.0 tt0 -101.48 122.45 43.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.97 162.89 24.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.93 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 61' ' ' VAL . 26.3 t -66.33 126.23 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -111.18 -23.63 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttt -147.04 138.84 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.2 t -121.33 124.03 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -128.09 156.79 42.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.57 -6.09 28.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -118.39 8.81 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.35 -172.64 30.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.51 148.01 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 43' ' ' LEU . 4.6 m-85 -97.67 132.87 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.4 mm -116.0 144.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 52.5 mttt -90.44 131.51 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.6 mt -90.36 131.42 38.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.632 0.73 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.19 9.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.77 60.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.05 168.62 19.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.33 -43.49 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -69.99 156.44 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -121.01 165.16 15.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.85 147.7 17.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.6 tp -100.74 141.59 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 85' ' ' LEU . 95.3 t -116.48 105.96 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.423 ' ND1' HG22 ' A' ' 47' ' ' THR . 2.7 t-160 -49.34 149.15 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.497 ' O ' HG21 ' A' ' 54' ' ' VAL . 10.9 ptt180 -59.14 -31.35 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.423 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.3 t -74.98 -20.06 59.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -95.92 -22.2 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.9 mtp -52.62 -51.73 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -131.01 152.18 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.6 t -70.38 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 m -55.91 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.54 125.49 24.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 46' ' ' ARG . 42.0 t -96.0 130.83 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -113.37 -52.5 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -136.76 112.41 9.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.81 27.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -71.11 -7.94 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.54 -1.35 24.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -93.94 -48.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 23' ' ' VAL . 4.8 m -135.29 173.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.45 139.41 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.4 t -38.24 117.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -20.67 10.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.12 127.99 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 4.2 ttpm? -93.9 132.0 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.01 169.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 98.0 m95 -98.22 132.8 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' A' ' 87' ' ' MET . 17.8 m -131.75 163.07 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' NZ ' HG21 ' A' ' 89' ' ' VAL . 15.9 ttpt -135.3 133.49 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.3 tp -68.76 129.78 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.49 -24.81 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.2 110.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.96 ' HB3' HD21 ' A' ' 71' ' ' LEU . 11.1 ptm180 -106.37 127.08 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -137.6 123.95 20.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -117.06 115.13 24.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -115.59 143.89 44.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -59.86 -13.98 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.05 -29.08 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 2.0 ptm85 -175.19 157.03 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.8 mt -109.28 132.44 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 123.18 40.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 71' ' ' LEU . 54.8 t -121.18 132.48 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.22 126.39 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' A' ' 44' ' ' VAL . 31.8 mt -125.72 153.96 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -131.53 153.81 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.721 ' HG3' HG12 ' A' ' 69' ' ' VAL . 50.5 mtp -122.12 -29.72 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -67.79 -8.03 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.566 HG21 ' NZ ' ' A' ' 70' ' ' LYS . 18.8 m -115.13 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' TRP . 20.8 t -146.51 135.1 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.3 125.81 26.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -88.99 44.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.34 -36.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.2 p -116.32 -32.65 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.17 26.1 24.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -95.18 135.36 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -57.05 128.66 38.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.8 -21.57 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 14.2 p-10 -120.03 76.49 22.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.28 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -105.94 -31.98 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 60.87 52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -106.07 -23.25 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.74 -55.52 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.577 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.7 pp -46.62 -26.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.608 ' N ' ' HG ' ' A' ' 38' ' ' CYS . 68.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.636 0.732 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -169.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.16 179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -66.49 149.13 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 50.7 24.94 1.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -85.2 139.64 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -105.54 131.22 55.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -150.23 167.98 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 17.6 tt0 -106.74 126.11 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.39 161.03 25.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.43 143.33 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.4 t -65.81 133.68 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 16.2 ttt -145.58 139.36 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -121.41 124.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -131.01 155.16 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.5 -6.52 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.2 6.36 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.44 -170.43 29.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.18 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 43' ' ' LEU . 2.4 m-85 -97.35 136.74 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 23' ' ' VAL . 9.5 mm -120.87 131.7 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 29.5 mtpt -82.74 134.07 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.572 HG23 ' HD2' ' A' ' 36' ' ' PRO . 45.2 mt -91.83 136.29 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 111.194 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.72 147.46 63.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.14 13.44 20.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.608 ' HG ' ' N ' ' A' ' 12' ' ' LEU . 57.4 m -130.49 179.34 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -116.59 -48.97 2.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -65.98 152.78 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 52.1 mt-30 -118.49 156.11 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.71 143.64 17.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.1 tp -97.24 139.28 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.0 t -112.14 116.21 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -57.26 147.47 25.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.99 -35.31 73.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -70.62 -21.66 62.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -91.08 -15.66 29.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.2 mtp -66.74 -46.89 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.7 m -106.4 172.0 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -62.91 -68.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.64 -69.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -79.77 133.25 36.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 50' ' ' SER . 3.1 t -126.13 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -62.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -148.8 121.46 4.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -24.02 29.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.4 p -75.52 -4.18 38.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -110.4 -9.96 14.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -89.49 -38.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.19 163.16 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.63 140.2 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.34 120.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.21 -16.13 27.49 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.1 131.04 34.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 31.2 ttmt -98.57 131.96 44.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.02 169.1 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.3 m95 -97.26 132.18 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.35 161.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.3 ttpt -135.91 126.68 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 15' ' ' LEU . 15.9 tp -60.87 130.33 45.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.594 HG22 HG21 ' A' ' 105' ' ' ILE . 9.4 pt -109.57 -30.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 139.82 6.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.903 ' CG ' HD21 ' A' ' 71' ' ' LEU . 44.1 mtp180 -112.89 123.77 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -135.19 123.79 23.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.8 138.63 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -118.04 150.38 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -59.08 -13.66 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.02 -29.21 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -176.15 157.06 1.76 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.5 mt -96.67 134.28 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 129.04 52.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 71' ' ' LEU . 63.6 t -118.73 130.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -97.19 129.78 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 44' ' ' VAL . 72.4 mt -125.81 153.28 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.656 ' HB3' HG22 ' A' ' 89' ' ' VAL . 33.4 m -122.21 153.73 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 67' ' ' VAL . 91.1 mtp -126.22 -27.69 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -77.27 -7.17 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.656 HG22 ' HB3' ' A' ' 86' ' ' SER . 29.7 m -109.18 19.76 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -143.16 143.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -76.26 123.53 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -86.54 38.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.53 -34.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.6 p -125.74 -26.82 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.97 28.69 27.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.2 137.03 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.725 0.297 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 23.5 t0 -57.66 120.71 8.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.22 -13.9 27.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 16.4 p-10 -127.89 75.99 77.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.817 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.52 -35.56 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 58.48 52.9 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 -17.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -82.9 -48.86 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.594 HG21 HG22 ' A' ' 72' ' ' ILE . 2.2 pp -49.55 -26.53 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.1 Cg_endo -69.75 -178.84 2.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.24 173.55 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 71' ' ' LEU . 24.2 tp -62.86 148.16 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 52.46 26.56 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -90.67 137.99 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.14 136.78 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.8 p90 -155.94 170.32 22.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 14.9 tt0 -107.21 125.89 51.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.54 164.02 24.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -110.78 134.31 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.7 t -64.1 128.04 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.86 11.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.503 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 24.5 ttt -147.88 140.86 24.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 61.1 t -123.98 124.46 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 p -127.77 161.94 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -72.88 -1.44 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -121.29 7.59 10.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.67 -166.06 29.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.5 148.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 13.9 m-85 -93.95 136.41 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.495 ' CD1' HG22 ' A' ' 23' ' ' VAL . 16.9 mm -123.09 136.13 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 41' ' ' GLN . 74.3 mttt -94.49 121.07 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 HG23 ' HD2' ' A' ' 36' ' ' PRO . 57.8 mt -82.25 137.88 45.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.634 0.73 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.7 120.13 6.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.83 41.65 22.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.42 -175.5 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -119.8 -32.89 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -116.41 160.7 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CD ' ' HE2' ' A' ' 34' ' ' LYS . 17.4 mt-30 -107.61 156.02 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.96 158.14 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.55 141.47 43.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 85' ' ' LEU . 66.4 t -114.87 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.73 150.78 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.68 -31.86 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.8 p -63.38 -34.4 77.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HE1' HG22 ' A' ' 105' ' ' ILE . 96.2 m-70 -88.0 -11.44 47.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.57 -23.8 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.595 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.3 t -133.49 167.59 20.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -58.92 -67.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.4 m -133.39 -69.46 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 128.98 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.5 t -121.61 95.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.58 -41.71 60.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -162.66 105.0 1.06 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.552 ' HA ' HD12 ' A' ' 60' ' ' ILE . 53.8 Cg_endo -69.71 -13.84 35.39 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 27.3 m -78.85 -24.58 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.2 -6.34 53.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 57' ' ' PRO . 49.9 mt -83.36 -35.29 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.52 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.81 135.5 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -39.15 122.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.53 -17.52 25.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.67 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 6.6 ttpm? -89.6 132.04 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.06 169.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.0 m95 -103.65 130.5 51.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.762 HG12 ' CG ' ' A' ' 87' ' ' MET . 28.6 m -129.7 157.09 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 89' ' ' VAL . 19.0 ttpt -130.44 126.2 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 15' ' ' LEU . 17.7 tp -59.29 138.15 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 84' ' ' SER . 6.7 pt -117.28 -32.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.24 137.04 4.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.833 ' CG ' HD21 ' A' ' 71' ' ' LEU . 72.2 mtp180 -109.42 123.05 48.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.09 124.3 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 113.89 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -103.63 148.98 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.34 -13.86 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -97.74 -30.68 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -176.25 156.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.8 121.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.53 129.27 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.88 118.57 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.642 ' HB3' HD11 ' A' ' 72' ' ' ILE . 17.9 m -97.02 127.2 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.885 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.9 mt -124.02 159.68 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 16.5 t -127.67 145.32 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.762 ' CG ' HG12 ' A' ' 69' ' ' VAL . 86.7 mtp -123.89 -31.38 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -65.24 -11.28 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -111.57 24.93 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 86.8 t -153.32 127.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -59.01 157.78 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 70.9 mm-40 -109.75 -21.39 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.63 -23.0 48.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -129.43 -29.9 2.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 68' ' ' TRP . . . 81.83 23.85 56.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -87.47 159.03 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.99 130.96 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.68 -21.85 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.8 t70 -132.99 75.93 71.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.16 17.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.665 2.244 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 68.8 m-80 -78.34 -47.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 101' ' ' ASN . 1.9 m-80 73.29 42.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -107.08 -17.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.441 HD13 ' CG ' ' A' ' 99' ' ' ASP . 4.0 mp -76.67 -61.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -45.0 -28.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.9 tp10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.828 ' N ' ' HG ' ' A' ' 38' ' ' CYS . 32.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.563 0.696 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.81 174.94 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -66.04 145.66 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 60.63 26.0 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.9 m -90.28 139.18 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -105.68 130.49 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -151.29 162.74 40.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 18.5 tt0 -100.15 128.6 46.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.6 157.15 23.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.545 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.24 145.54 27.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -72.63 125.26 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.72 -24.86 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -148.09 138.16 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 58.9 t -121.03 123.97 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.7 p -126.19 160.36 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.52 1.65 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -124.94 5.51 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.38 32.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.91 146.94 31.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.34 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 43' ' ' LEU . 10.1 m-85 -93.14 134.23 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 69' ' ' VAL . 16.3 mm -120.46 128.5 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -82.78 123.6 29.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 19' ' ' PHE . 58.8 mt -82.95 130.65 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.94 41.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.17 -17.98 8.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.828 ' HG ' ' N ' ' A' ' 12' ' ' LEU . 1.9 t -115.68 168.67 9.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 mtm105 -103.94 -36.01 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 12' ' ' LEU . 5.5 mmtp -66.48 142.81 57.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -113.11 164.26 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.41 151.13 17.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 32' ' ' PHE . 24.6 tp -103.17 134.57 46.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.7 t -104.09 111.45 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.16 147.79 15.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB2' HG11 ' A' ' 54' ' ' VAL . 2.7 ptm180 -59.31 -33.25 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -68.23 -32.8 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.488 ' HE1' HG22 ' A' ' 105' ' ' ILE . 65.9 m-70 -85.09 -19.92 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 mtp -62.08 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -126.06 164.26 21.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 m -49.91 -69.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -134.58 -66.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -67.7 127.42 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 46' ' ' ARG . 4.6 t -121.07 82.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -70.83 -54.24 12.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 36.8 mtmt -149.13 104.93 3.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.71 -18.05 37.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 11.3 t -82.47 -9.85 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -99.39 -14.72 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -78.94 -30.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.6 m -143.48 175.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -161.68 141.28 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.87 120.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.48 -23.83 11.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -82.33 128.26 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 20' ' ' GLN . 26.8 tttt -94.45 133.11 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG21 ' HE3' ' A' ' 87' ' ' MET . 18.3 m -141.18 170.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 93.9 m95 -101.22 133.27 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' CG ' ' A' ' 87' ' ' MET . 19.9 m -131.82 159.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -127.52 134.76 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.849 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.1 tp -68.84 133.74 48.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -118.4 -24.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.49 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.849 ' HB3' HD21 ' A' ' 71' ' ' LEU . 18.0 ptt180 -119.76 125.56 48.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -142.28 123.94 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -116.92 114.12 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -116.7 146.46 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.47 -13.93 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.35 -31.94 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -175.61 157.07 2.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 ' HE2' ' A' ' 40' ' ' LYS . 86.2 mt -112.25 132.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -120.64 128.93 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.89 127.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -117.04 128.45 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' HB2' HG22 ' A' ' 44' ' ' VAL . 59.2 mt -122.83 158.65 29.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -131.22 148.23 52.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.669 ' CG ' HG12 ' A' ' 69' ' ' VAL . 58.9 mtp -120.9 -27.97 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' HG13 ' A' ' 89' ' ' VAL . 7.7 pttp -63.69 -26.03 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG13 ' HG3' ' A' ' 88' ' ' LYS . 30.7 m -96.97 11.26 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.6 142.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.04 130.24 34.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -88.81 51.06 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.7 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.1 p -120.38 -22.4 6.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 29.35 50.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.23 144.57 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 109.19 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.85 -37.4 55.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 89' ' ' VAL . 7.8 m-20 -117.82 75.81 10.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.68 -11.28 30.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -70.99 -34.37 71.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 4.8 m-80 56.16 38.46 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.87 -21.73 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -75.78 -48.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.505 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -54.45 -23.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 40' ' ' LYS . 21.2 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.649 0.737 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.6 Cg_endo -69.74 -177.61 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.392 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.13 173.07 8.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.879 ' HA ' HD23 ' A' ' 71' ' ' LEU . 20.4 tp -67.1 142.62 57.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 64.41 26.72 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -88.38 136.04 33.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.0 mt -103.68 127.79 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 9.5 p90 -151.13 159.16 44.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 13.3 tt0 -94.93 123.59 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 163.99 22.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.45 141.38 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.59 131.98 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -119.5 -22.19 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 ttt -147.99 139.28 23.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -122.51 124.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -129.93 160.94 32.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.31 -2.93 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -120.05 10.77 11.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.21 -173.42 24.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.41 151.26 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 43' ' ' LEU . 6.5 m-85 -92.97 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.6 mm -118.22 123.18 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 37.7 mttt -74.97 133.2 41.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 40' ' ' LYS . 63.1 mt -90.01 131.93 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.41 16.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 -37.5 2.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 99.7 m -78.02 -178.52 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -115.08 -46.87 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HB3' HD21 ' A' ' 12' ' ' LEU . 14.7 tppt? -73.64 152.9 40.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mp0 -116.27 166.92 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.997 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.15 154.47 16.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -102.36 137.78 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 85' ' ' LEU . 73.0 t -111.23 102.49 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.89 153.15 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' THR . 11.4 ptt180 -59.4 -32.26 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 13.4 p -64.5 -29.38 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -90.92 -31.93 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 mtp -44.21 -32.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 t -157.48 146.91 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -63.05 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -53.81 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmt-85 -60.45 169.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 100.0 t -144.09 133.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.55 -36.17 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 mtmt -148.97 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.7 Cg_endo -69.78 -19.15 36.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.1 p -74.09 -3.61 30.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -108.41 -5.35 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt -93.99 -47.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.37 169.87 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' VAL . 2.3 m-20 -157.81 136.12 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . 99.5 t -37.43 119.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.86 -27.57 7.43 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.549 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -79.09 127.19 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 15.1 ttpp -100.2 132.43 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG21 ' CE ' ' A' ' 87' ' ' MET . 19.3 m -141.21 170.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.4 m95 -92.29 141.3 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 87' ' ' MET . 2.8 m -138.02 162.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' CE ' HG21 ' A' ' 89' ' ' VAL . 9.3 ttpp -134.92 125.29 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 74' ' ' ARG . 9.2 tp -60.14 129.76 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 105' ' ' ILE . 6.1 pt -113.9 -26.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.48 108.79 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.897 ' HB3' HD21 ' A' ' 71' ' ' LEU . 10.4 ptt85 -117.46 136.19 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -147.11 123.91 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 ttt -116.29 114.13 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -116.33 143.56 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -59.0 -13.64 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 10.6 t70 -101.98 -28.85 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 12.8 mtp180 -167.44 157.1 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.31 130.87 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 129.04 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.5 t -131.32 127.86 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -120.66 132.35 55.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 71' ' ' LEU . 29.5 mt -123.82 159.01 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.513 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -121.68 152.06 39.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' HG21 ' A' ' 67' ' ' VAL . 80.5 mtp -124.04 -23.87 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -79.02 -21.25 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 70' ' ' LYS . 16.3 m -99.64 28.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -150.74 128.87 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -61.04 136.99 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 87' ' ' MET . 35.7 mm-40 -100.99 48.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.03 -40.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.3 p -117.87 -25.28 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.85 30.84 30.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -91.36 134.44 34.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.17 130.03 44.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 mt -101.58 -26.17 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.425 ' CG ' ' HB ' ' A' ' 89' ' ' VAL . 28.0 p-10 -120.07 76.41 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.288 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -102.86 -38.51 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 68.93 50.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -32.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.611 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -65.45 -51.94 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.56 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -52.2 -23.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.7 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 81.1 p -84.16 117.33 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 46.7 m -86.82 120.01 27.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 172.51 155.35 11.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 60.2 m -78.32 148.03 33.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.7 t -105.63 -47.55 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -170.72 140.81 6.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.427 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.72 -25.47 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -112.46 101.71 9.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -95.01 144.94 25.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 133.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -131.25 133.96 25.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 0.0 110.812 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -174.0 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.354 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -101.34 97.6 8.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.2 p -111.96 169.74 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 42.4 tpp -52.65 -27.54 17.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -93.71 58.44 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -84.13 -40.55 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 mt -47.85 155.25 0.85 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.0 Cg_endo -69.74 169.53 18.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.735 2.29 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.66 171.02 14.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.045 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.953 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.7 tp -66.74 140.49 57.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 60.71 27.64 17.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.9 m -89.64 141.08 28.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HB2' ' A' ' 97' ' ' ASP . 78.2 mt -103.39 131.39 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.6 p90 -150.72 170.56 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -109.07 122.97 48.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.66 163.61 24.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -108.16 147.75 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' CD1' ' A' ' 33' ' ' ILE . 34.4 t -73.9 127.33 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.11 -25.2 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.9 ttt -146.62 140.35 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.1 124.53 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.1 p -126.11 160.91 28.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.92 2.29 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -126.6 8.72 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.51 -169.04 30.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.61 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 43' ' ' LEU . 24.0 m-85 -93.06 135.95 33.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 23' ' ' VAL . 42.0 mm -121.15 140.9 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -95.75 122.09 38.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.605 HG23 ' HD2' ' A' ' 36' ' ' PRO . 39.7 mt -85.07 137.6 37.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.6 Cg_endo -69.8 110.97 2.69 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.36 48.59 4.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 p -138.29 -175.45 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -122.37 -29.71 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -114.72 158.48 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -109.63 151.99 26.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.42 156.63 17.17 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.546 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.8 tp -110.87 138.62 47.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG22 ' HB2' ' A' ' 85' ' ' LEU . 76.6 t -113.87 100.72 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -49.53 153.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -60.47 -32.3 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.8 p -63.52 -30.13 71.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.2 -22.68 17.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.0 mtp -50.86 -33.52 24.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 54' ' ' VAL . 4.3 t -154.98 129.91 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -51.51 -58.12 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.5 p -59.76 -177.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtm180 -62.46 132.87 53.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 50' ' ' SER . 98.4 t -111.75 111.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -103.67 -41.18 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 68.6 mttt -133.63 88.41 33.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.7 Cg_endo -69.87 -17.77 36.87 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.1 p -75.72 -5.03 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -110.23 -16.42 13.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.4 -41.68 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 170.36 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.93 137.72 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -38.9 125.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.47 -17.87 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -86.77 136.27 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HD3' ' CD ' ' A' ' 20' ' ' GLN . 17.6 ttmm -103.28 131.92 49.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG21 ' CE ' ' A' ' 87' ' ' MET . 30.5 m -141.07 170.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.521 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.8 m95 -98.52 132.18 44.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.786 HG12 ' HG2' ' A' ' 87' ' ' MET . 32.9 m -132.32 158.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -129.45 128.18 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.953 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.3 tp -61.53 127.7 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.22 -25.42 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 118.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.457 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.507 ' HB3' HD21 ' A' ' 71' ' ' LEU . 13.9 ptm180 -120.6 125.06 46.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.736 0.303 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.11 124.04 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -116.82 113.99 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -117.99 146.16 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -59.61 -13.86 11.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.02 -29.32 13.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 3.5 ptm85 -175.55 157.04 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.0 mt -116.71 130.8 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -117.75 128.98 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.45 127.8 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m -116.3 128.08 55.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.438 HD23 HD12 ' A' ' 71' ' ' LEU . 62.5 mt -120.82 152.35 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.534 ' HB3' HG22 ' A' ' 89' ' ' VAL . 2.0 m -126.5 149.64 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.786 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.7 mtp -123.69 -29.34 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -63.94 -10.7 22.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 86' ' ' SER . 23.5 m -111.73 13.14 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG11 ' HB3' ' A' ' 68' ' ' TRP . 54.0 t -138.22 131.2 40.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.68 167.52 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -118.4 -11.89 9.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.35 -34.21 7.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.6 p -126.24 -32.18 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.67 15.47 54.69 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -76.04 146.07 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 18' ' ' ILE . 30.1 t0 -59.87 131.87 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.3 mt -107.37 -17.95 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -130.45 75.76 78.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -2.02 9.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.427 ' HB3' HG23 ' A' ' 103' ' ' VAL . 77.7 m-20 -88.86 -41.13 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 64.07 43.4 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 101' ' ' ASN . 48.9 t -102.39 -37.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.724 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -61.76 -41.74 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.506 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.5 pp -57.35 -20.13 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -93.16 121.91 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 m -54.16 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.84 13.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 143.68 51.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.2 t -162.38 166.5 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.1 t -89.86 158.92 17.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.788 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 82.8 p -130.53 -40.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 89.8 p -113.05 84.31 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 163.84 -179.31 38.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 68.1 m -105.61 122.85 46.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.9 p -109.51 129.11 55.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 1' ' ' MET . . . -125.27 -62.58 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.529 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 0' ' ' GLY . 75.9 mmm -37.95 -50.2 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -38.71 126.22 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 p -99.86 105.79 17.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.38 152.74 10.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.3 144.03 24.23 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 165.42 31.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -60.58 105.99 0.5 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -129.96 160.86 32.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.428 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 8.4 ttt -49.52 94.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -112.06 25.87 11.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.7 -46.57 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.73 156.1 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.609 0.719 . . . . 0.0 110.95 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.75 -171.81 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.277 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.19 171.76 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.4 tp -66.34 140.54 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 64.37 26.73 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -90.99 135.11 33.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.8 mt -101.21 127.64 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.7 p90 -149.37 164.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 17.9 tt0 -101.0 129.18 46.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.73 163.68 25.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -110.58 140.65 44.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -67.68 129.68 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.65 -21.99 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.548 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.1 ttt -147.98 139.1 23.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.93 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 79.1 p -124.71 160.36 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -72.52 1.4 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -126.59 9.75 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.97 -169.81 30.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.98 148.97 34.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 28.6 m-85 -93.2 129.57 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.5 mm -112.79 132.36 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -84.79 125.7 32.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.58 HG12 ' CE1' ' A' ' 19' ' ' PHE . 45.9 mt -88.41 136.03 32.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.646 0.736 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.2 Cg_endo -69.68 135.02 29.58 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.64 25.68 72.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.5 m -133.37 172.71 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -110.74 -42.62 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 9' ' ' MET . 2.4 mmmp? -86.85 155.04 20.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -117.1 168.52 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 153.62 16.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.18 132.93 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 85' ' ' LEU . 78.5 t -106.09 100.53 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -51.16 153.45 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -61.28 -31.08 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.6 p -64.54 -27.96 69.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -95.58 -22.81 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.2 mtp -50.15 -37.81 36.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 27.6 t -152.97 -179.58 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' N ' ' OG ' ' A' ' 50' ' ' SER . 94.7 p -108.92 -41.76 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.804 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -68.97 -174.99 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -59.97 105.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 50' ' ' SER . 40.7 t -90.38 124.76 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.49 -57.75 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -109.04 90.3 7.7 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.92 33.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.747 2.298 . . . . 0.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -81.38 -17.22 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.02 -10.36 28.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.5 mt -81.28 -32.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.63 170.69 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.28 136.16 8.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -41.68 121.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.62 -22.23 13.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.92 126.39 32.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.2 ttpp -93.28 132.04 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.08 169.37 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.464 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.7 m95 -98.82 140.81 32.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG3' ' A' ' 87' ' ' MET . 5.4 m -140.04 164.29 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -133.6 123.07 24.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.968 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.0 tp -60.54 130.8 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -115.34 -24.49 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.47 109.69 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.968 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.2 ptm180 -113.09 126.77 55.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 110.866 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -137.27 123.9 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.0 ttt -118.11 114.1 22.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -115.01 141.84 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -59.34 -13.72 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 18.6 t0 -101.31 -28.61 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 16.1 mtp180 -166.84 157.08 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -127.15 129.77 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -130.87 129.06 41.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 71' ' ' LEU . 59.7 t -126.58 129.08 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -111.18 129.47 55.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 71' ' ' LEU . 29.4 mt -125.16 154.9 40.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.642 ' OG ' HG22 ' A' ' 89' ' ' VAL . 11.8 t -116.76 151.1 37.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG3' HG12 ' A' ' 69' ' ' VAL . 71.8 mtp -122.35 -35.22 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -67.14 -21.62 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.642 HG22 ' OG ' ' A' ' 86' ' ' SER . 33.2 m -100.54 26.13 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 22.3 t -148.21 130.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -67.07 132.21 47.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -95.25 43.74 1.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.04 -34.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 p -125.65 -25.09 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.78 31.69 32.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -96.06 136.39 36.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -55.39 119.39 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.3 -33.46 16.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -122.04 79.17 42.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.712 0.768 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.0 35.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.733 2.289 . . . . 0.0 112.356 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.76 -38.48 62.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.61 49.21 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.01 -35.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.2 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -62.23 -49.08 85.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.06 -21.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -83.93 92.38 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 62.2 p -119.69 149.35 42.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.82 -99.28 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.63 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.364 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.7 p -167.53 166.13 14.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 t -82.69 157.26 23.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 93.5 p -170.2 162.29 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.792 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.3 p -112.16 167.58 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 57.16 101.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.3 t -94.74 -59.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.6 t -133.16 142.08 48.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.46 81.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.23 33.99 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -72.11 133.61 45.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -81.25 -55.5 4.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.21 -119.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -147.89 144.24 18.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.625 0.726 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.464 ' CD ' ' HB2' ' A' ' 14' ' ' ALA . 54.0 Cg_endo -69.73 136.24 32.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -107.93 103.45 12.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 9' ' ' MET . 1.9 t -115.96 176.53 5.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.443 ' N ' ' OG1' ' A' ' 8' ' ' THR . 4.8 ptp -38.62 -30.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' THR . 19.7 mt-10 -115.0 168.09 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -93.29 22.71 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt -64.71 151.9 91.34 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.3 Cg_endo -69.85 -173.19 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.274 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' HB2' ' CD ' ' A' ' 6' ' ' PRO . . . -94.86 -179.37 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.735 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.5 tp -68.97 147.2 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 55.19 26.35 8.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -91.14 132.91 35.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.546 HD11 ' OD2' ' A' ' 97' ' ' ASP . 73.1 mt -101.21 139.07 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 10.1 p90 -154.6 164.13 39.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.573 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 10.5 tt0 -98.42 120.59 39.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' C ' ' HD3' ' A' ' 66' ' ' LYS . . . -131.55 162.43 23.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.08 140.93 41.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.09 133.42 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -117.7 -23.25 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.29 140.29 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -122.91 124.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.596 HG21 ' OH ' ' A' ' 29' ' ' TYR . 71.3 p -130.24 162.5 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -72.8 -0.67 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' OH ' HG21 ' A' ' 27' ' ' THR . 13.0 p90 -118.34 6.33 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.85 -167.26 27.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.73 149.18 40.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.441 ' CE1' HD13 ' A' ' 43' ' ' LEU . 37.6 m-85 -95.77 124.47 39.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.41 131.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 35.1 mtmt -86.85 125.77 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 36' ' ' PRO . 54.0 mt -86.32 135.63 36.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.708 0.765 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.7 Cg_endo -69.78 129.94 18.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.35 23.63 75.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.7 t -132.58 167.94 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -111.49 -19.67 12.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.76 151.2 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.474 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 20.5 mt-30 -118.7 153.88 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.09 149.39 17.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -99.46 140.24 33.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 85' ' ' LEU . 54.5 t -113.75 103.46 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -49.59 151.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 54' ' ' VAL . 6.8 ptt-85 -60.04 -34.44 73.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 47' ' ' THR . 2.8 p -63.27 -25.59 68.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -95.52 -25.66 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 18.1 mtp -48.34 -44.54 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -146.36 156.53 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -75.5 -59.12 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.01 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -60.12 113.66 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 46' ' ' ARG . 61.0 t -86.65 110.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -118.4 -55.22 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 81.76 1.51 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -13.16 34.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -89.04 -11.34 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -99.1 -11.46 21.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.1 mt -83.71 -34.16 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 m -142.81 172.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -156.26 168.4 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.44 115.5 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.35 -19.4 9.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -85.69 127.6 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 tppp? -87.44 134.92 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.12 157.4 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 95.4 m95 -93.09 139.31 30.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 87' ' ' MET . 2.6 m -143.89 159.37 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 89' ' ' VAL . 24.5 pttt -131.38 133.06 44.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.967 HD21 ' CG ' ' A' ' 74' ' ' ARG . 20.1 tp -60.83 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD11 ' HB3' ' A' ' 84' ' ' SER . 13.5 pt -112.95 -24.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.96 137.5 4.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.967 ' CG ' HD21 ' A' ' 71' ' ' LEU . 31.0 mtp180 -111.4 124.56 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' LYS . 44.0 mm-40 -142.83 123.74 14.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -118.09 128.81 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.23 152.53 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.06 -13.81 7.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.43 -31.17 12.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -176.06 157.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -87.74 134.44 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' GLU . 14.8 mmmt -117.66 128.92 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -123.7 128.9 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.538 ' HB3' HD11 ' A' ' 72' ' ' ILE . 4.3 m -100.75 125.59 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 59.9 mt -124.7 152.8 43.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.666 ' OG ' HG22 ' A' ' 89' ' ' VAL . 48.3 t -121.12 150.1 41.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.599 ' HG3' HG12 ' A' ' 69' ' ' VAL . 77.9 mtp -122.4 -37.62 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -66.63 -11.4 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.831 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -107.32 18.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 68' ' ' TRP . 10.1 t -145.47 142.1 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -72.76 127.31 32.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -90.22 48.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.41 -39.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -117.32 -20.93 8.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 111.165 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.509 ' HA2' ' CG ' ' A' ' 68' ' ' TRP . . . 80.8 25.56 55.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -94.2 133.71 37.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.546 ' OD2' HD11 ' A' ' 18' ' ' ILE . 3.3 t70 -57.29 125.07 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.1 mt -90.01 -29.78 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 1.6 t70 -129.51 77.18 77.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.696 0.76 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.14 6.44 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -82.39 -25.55 33.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 48.76 50.76 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.4 p -112.78 -19.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.437 ' CD1' ' OD2' ' A' ' 99' ' ' ASP . 5.1 mp -77.37 -47.53 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.462 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -55.6 -21.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -86.97 -58.3 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -78.94 105.9 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -127.2 -88.61 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.559 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 173.55 10.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.27 . . . . 0.0 112.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.7 t -146.47 126.96 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -167.44 159.56 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 60.1 p -138.46 154.87 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.7 t -133.92 172.95 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 149.97 114.79 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 72.1 m -161.95 145.89 12.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.9 t -128.01 138.23 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 160.39 163.36 13.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt -133.16 130.1 38.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -115.36 106.87 14.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -128.26 159.44 35.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.63 104.69 2.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -102.28 149.77 36.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.291 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -105.56 112.36 25.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.4 p -69.54 161.35 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.1 tpt -49.11 -45.48 43.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -133.81 170.49 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -87.22 29.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 40' ' ' LYS . 53.2 mt -56.73 151.43 31.64 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.626 0.727 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.81 178.78 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.312 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.11 175.51 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD23 ' A' ' 71' ' ' LEU . 14.4 tp -67.25 143.92 56.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.47 25.15 15.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.7 m -86.8 150.64 23.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' A' ' 97' ' ' ASP . 84.0 mt -113.27 134.69 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CE1' HG23 ' A' ' 69' ' ' VAL . 10.7 p90 -155.75 160.1 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 12.4 tt0 -96.47 125.95 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.74 159.95 24.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -110.92 144.14 40.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.54 HG21 ' HB ' ' A' ' 61' ' ' VAL . 41.0 t -67.27 132.71 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.717 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . . . -119.58 -21.82 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.2 ttt -147.87 141.02 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.77 124.73 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 p -121.72 161.24 22.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.47 3.19 5.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -131.3 16.18 5.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.96 -163.3 27.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.8 152.09 37.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -94.37 135.34 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.1 mm -121.92 128.78 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.717 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 9.5 mtmp? -83.57 131.82 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.538 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -85.34 135.41 38.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.3 Cg_endo -69.8 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.311 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 32.24 25.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -151.99 -178.7 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -119.53 -33.9 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HB3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -70.16 150.6 46.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -121.92 142.99 49.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.645 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -106.63 153.05 16.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.478 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -101.62 141.15 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' SD ' ' A' ' 87' ' ' MET . 89.0 t -114.01 104.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -54.32 153.53 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 54' ' ' VAL . 6.5 mtm105 -58.83 -37.26 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -59.97 -25.91 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 86' ' ' SER . 68.7 m-70 -95.33 -13.82 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.682 ' CE ' HG22 ' A' ' 61' ' ' VAL . 47.8 mtp -71.59 -28.79 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.856 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.4 m -128.18 -178.04 4.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -76.26 -61.04 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -129.75 -66.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.89 132.13 35.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.856 HG22 ' HB2' ' A' ' 50' ' ' SER . 22.2 t -124.69 86.23 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.88 -60.66 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -148.38 134.12 9.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -28.37 25.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.5 p -76.3 -2.48 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -106.47 -12.37 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 49' ' ' MET . 12.9 mt -95.15 -43.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.682 HG22 ' CE ' ' A' ' 49' ' ' MET . 5.3 m -132.41 159.59 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.14 142.73 24.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.3 t -45.04 116.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.44 -23.38 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.58 126.33 32.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -95.6 131.78 41.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.644 HG21 ' CE ' ' A' ' 87' ' ' MET . 17.8 m -141.11 170.04 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.2 m95 -96.97 131.5 43.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG12 ' HG2' ' A' ' 87' ' ' MET . 33.2 m -130.64 157.25 42.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -131.7 128.1 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.824 HD23 ' HA ' ' A' ' 15' ' ' LEU . 10.7 tp -60.52 129.45 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.446 HG22 HG21 ' A' ' 105' ' ' ILE . 17.4 pt -112.36 -28.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.1 119.31 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.762 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptm180 -120.21 129.14 53.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -142.55 125.34 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -112.81 114.24 26.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.83 145.22 37.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -59.85 -13.96 12.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.76 -28.97 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -175.27 156.94 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 85.6 mt -103.87 129.74 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -117.91 124.06 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.645 HG23 ' HA2' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -133.72 133.13 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -120.02 132.54 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 HD12 ' A' ' 71' ' ' LEU . 80.6 mt -121.53 157.75 30.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 89' ' ' VAL . 3.2 p -126.91 144.45 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 69' ' ' VAL . 81.2 mtp -117.07 -33.4 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -64.21 -27.87 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 86' ' ' SER . 34.8 m -92.91 22.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.0 t -148.5 124.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.23 128.88 38.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 87' ' ' MET . 19.3 mp0 -90.9 45.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.03 -35.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -123.36 -31.72 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.087 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.6 12.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.25 135.55 33.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.498 ' CB ' HD11 ' A' ' 18' ' ' ILE . 23.5 t0 -60.54 124.09 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.37 -25.14 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 15.3 p-10 -112.38 75.96 1.85 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.698 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -109.35 -37.45 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.86 44.87 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.05 -22.99 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.438 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.1 mp -82.51 -40.72 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.446 HG21 HG22 ' A' ' 72' ' ' ILE . 2.6 pp -59.79 -19.85 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -93.02 91.36 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.7 t -114.13 87.39 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -122.86 68.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.56 7.48 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.9 p -162.96 135.58 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.7 p -124.8 160.57 28.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.419 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 91.7 p -53.55 156.13 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 23.0 t -95.45 -55.12 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.92 86.68 0.11 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.42 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.3 m -165.74 157.45 14.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 40.0 t -130.43 133.85 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -171.43 -117.22 0.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -143.95 156.77 44.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -139.82 152.0 46.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -99.71 146.58 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.03 152.97 20.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -84.31 142.87 41.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 166.38 27.84 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.396 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -157.06 137.23 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.0 p -49.4 -19.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 tpp -130.31 78.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 11' ' ' ASN . 10.8 pt-20 -112.45 -34.86 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' GLU . 94.4 m-20 -36.63 -43.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -49.7 145.02 8.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 177.33 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.1 tp -67.12 143.12 56.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 60.86 26.72 16.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -89.99 145.75 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 97' ' ' ASP . 62.6 mt -108.91 130.66 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 17.7 p90 -151.39 160.67 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.584 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 13.7 tt0 -100.14 125.25 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.12 163.89 24.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -107.55 141.37 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.551 HG22 ' CD1' ' A' ' 33' ' ' ILE . 38.3 t -67.59 130.9 33.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.41 -25.63 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.414 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 6.7 ttt -147.98 141.12 25.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -120.35 124.2 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 p -123.97 157.51 34.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.89 -0.63 9.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -126.77 12.62 7.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.08 -169.47 30.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.45 148.85 31.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 12.6 m-85 -94.61 129.52 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' CD1' HG22 ' A' ' 23' ' ' VAL . 47.9 mm -117.27 134.68 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HD3' ' NE2' ' A' ' 41' ' ' GLN . 13.0 mtmm -89.29 132.95 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.2 mt -90.77 137.6 26.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.3 Cg_endo -69.73 121.24 7.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.17 28.69 39.96 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.426 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -145.4 164.43 31.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -101.9 -42.6 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -73.61 149.16 42.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' NE2' ' HD3' ' A' ' 34' ' ' LYS . 75.7 mt-30 -116.16 163.0 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.92 161.64 12.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.49 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -116.54 138.93 51.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 85' ' ' LEU . 81.3 t -112.2 103.26 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -47.75 152.35 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 2.4 ppt_? -58.9 -31.04 68.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.3 p -63.85 -42.81 97.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -78.34 -26.1 46.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.7 mtp -54.16 -30.32 48.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -121.78 176.53 5.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -92.11 -44.37 8.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.8 m -131.48 -73.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.03 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.54 68.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -46.35 -57.43 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -157.94 120.62 2.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.586 0.708 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.34 30.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -76.25 -4.97 44.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.796 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -109.02 -21.48 12.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 mt -72.48 -37.79 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 6.0 m -138.97 174.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -161.89 140.18 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.8 t -43.99 125.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.91 -23.37 27.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -81.6 129.42 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 1.1 ttmp? -94.84 131.93 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.04 168.19 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 96.2 m95 -96.73 141.17 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 85' ' ' LEU . 34.0 m -140.32 159.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 90' ' ' VAL . 19.0 ttpt -130.15 128.93 42.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 15' ' ' LEU . 8.2 tp -63.49 135.57 56.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.692 HD11 ' HB3' ' A' ' 84' ' ' SER . 5.9 pt -116.13 -33.57 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.39 123.58 1.3 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.578 ' HB3' HD21 ' A' ' 71' ' ' LEU . 4.6 ptt85 -111.84 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -130.75 123.98 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtp -117.39 113.98 22.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -117.38 143.29 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.85 -13.98 13.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.97 -29.96 13.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -175.15 156.78 2.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.4 mt -110.14 128.94 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -118.16 129.05 55.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 HD11 ' A' ' 71' ' ' LEU . 96.5 t -131.3 118.95 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 72' ' ' ILE . 7.8 m -101.72 134.24 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.701 HD23 HD12 ' A' ' 71' ' ' LEU . 67.5 mt -126.74 158.63 35.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.558 ' CB ' HG22 ' A' ' 89' ' ' VAL . 5.9 t -116.17 147.77 41.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.531 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.0 mtp -124.44 -22.16 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -82.15 -21.89 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 86' ' ' SER . 26.0 m -97.66 9.54 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 68' ' ' TRP . 11.5 t -129.14 129.13 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -67.16 137.79 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -98.45 47.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.57 -38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.7 p -118.94 -32.64 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.26 28.11 16.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 139.12 31.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.604 ' HB2' HD11 ' A' ' 18' ' ' ILE . 19.1 t0 -60.82 116.92 4.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.6 mt -82.64 -37.79 24.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.71 78.83 12.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -11.91 31.66 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.3 -44.28 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 71.51 42.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.5 t -102.76 -31.12 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.514 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.9 mp -64.19 -59.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 106' ' ' GLU . 2.6 pp -45.47 -31.6 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.2 tp10 -80.97 131.79 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.3 t -105.2 139.88 39.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 179.16 146.04 6.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 101.7 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 54.1 p -87.46 142.36 27.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.7 p -106.57 125.57 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 75.5 m -148.45 162.72 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 14.5 t -54.81 134.99 48.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -55.68 -66.71 2.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.1 t -111.58 104.67 13.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.6 p -136.38 133.9 37.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.42 -167.76 33.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttt -77.78 146.27 35.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 71.12 28.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.3 p -40.52 145.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 -109.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -117.26 89.59 31.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 102.59 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -127.01 73.53 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 p -152.83 172.25 17.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ptp -123.23 52.8 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.796 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -79.79 90.06 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -101.45 -38.1 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 38' ' ' CYS . 17.7 mt -46.86 156.4 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.6 Cg_endo -69.7 178.54 4.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.742 2.295 . . . . 0.0 112.316 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.55 174.01 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.724 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -69.11 144.06 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 61.46 25.98 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -88.4 138.45 31.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.209 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 ' CB ' ' A' ' 97' ' ' ASP . 82.2 mt -103.87 130.67 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 35' ' ' ILE . 9.2 p90 -151.01 157.98 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 19.4 tt0 -95.9 122.24 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.83 163.78 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -110.54 136.51 49.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -61.07 133.23 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.63 -23.94 8.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttt -147.99 140.96 24.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 72.0 t -120.93 123.98 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.1 p -123.51 159.95 28.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.44 1.49 7.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -127.68 11.43 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.28 -170.99 29.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.564 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.97 147.75 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -93.08 128.14 38.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 23' ' ' VAL . 37.0 mm -110.07 139.53 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 15.1 mtpt -95.8 126.57 41.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 36' ' ' PRO . 46.5 mt -85.42 137.21 36.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.203 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.74 120.12 6.96 Favored 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.84 44.5 24.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.438 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.501 ' SG ' HD23 ' A' ' 12' ' ' LEU . 3.1 m -141.38 -177.58 5.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -115.66 -49.8 2.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -88.5 153.77 20.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -109.59 160.07 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.8 147.5 17.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 tp -100.78 137.16 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 85' ' ' LEU . 71.7 t -109.92 101.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -48.66 153.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 47' ' ' THR . 15.9 ptt180 -60.54 -35.06 75.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 9.5 t -69.77 -20.89 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -95.43 -20.73 18.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 58.0 mtp -61.62 -39.09 90.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.9 t -153.72 143.57 21.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.9 t -71.92 -48.48 45.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.7 m -52.75 178.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.61 97.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 50' ' ' SER . 19.1 t -72.12 115.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.62 -54.03 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -129.92 95.76 27.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -12.71 33.58 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 2.4 m -77.88 -7.68 57.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.12 -14.92 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.6 mt -72.74 -31.05 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.7 m -145.75 173.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -157.34 134.55 10.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 62' ' ' ASP . 91.6 t -35.35 121.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.11 -22.31 11.45 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -81.04 126.87 31.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 32.4 ttmt -95.95 131.98 41.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG21 ' CE ' ' A' ' 87' ' ' MET . 16.7 m -141.06 170.03 14.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 95.9 m95 -99.98 129.85 46.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 87' ' ' MET . 29.6 m -130.54 158.27 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.2 ttpt -126.47 134.24 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.871 HD21 ' HB3' ' A' ' 74' ' ' ARG . 6.1 tp -65.56 127.02 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.598 HG22 HG21 ' A' ' 105' ' ' ILE . 19.1 pt -110.5 -25.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.38 118.64 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.871 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.4 ptm180 -119.91 126.83 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.816 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -139.0 124.03 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.1 mtp -114.71 114.5 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -117.77 143.9 45.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.04 -13.99 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.97 -28.96 13.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -175.03 157.02 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.6 mt -112.57 131.93 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -119.34 128.92 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.32 125.93 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.48 ' HB3' HD11 ' A' ' 72' ' ' ILE . 3.3 m -113.11 127.41 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' HD12 ' A' ' 71' ' ' LEU . 43.6 mt -120.83 148.4 44.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.438 ' OG ' HG22 ' A' ' 89' ' ' VAL . 19.0 t -120.21 149.3 42.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.669 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.9 mtp -122.27 -33.85 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.37 -22.91 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.485 HG21 ' HE2' ' A' ' 70' ' ' LYS . 32.7 m -98.93 12.54 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 70' ' ' LYS . 42.6 t -134.61 130.65 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -69.76 124.83 24.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -88.98 41.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.29 -33.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.9 p -128.46 -28.71 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.13 28.3 15.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -91.69 138.04 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.441 ' CB ' HD11 ' A' ' 18' ' ' ILE . 17.1 t0 -62.7 116.93 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 63.2 mt -82.12 -21.72 36.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 19.4 p-10 -127.2 78.37 74.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.723 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 0.58 5.39 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.783 2.322 . . . . 0.0 112.278 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -98.89 -37.62 9.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 62.33 51.77 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 103' ' ' VAL . 73.4 t -111.23 -14.47 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.35 -56.05 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.598 HG21 HG22 ' A' ' 72' ' ' ILE . 2.5 pp -46.52 -27.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 105' ' ' ILE . 2.9 tp10 -81.39 100.9 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 m -63.55 168.88 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 53.8 84.58 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 145.14 56.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.7 m -54.12 153.44 5.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.8 p -121.68 128.85 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 36.8 m -63.05 -56.78 14.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.788 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.1 m -65.73 -46.03 80.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 105.88 -78.97 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 1.7 t -131.19 166.44 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 42.3 m -103.45 111.66 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -133.21 -166.37 11.39 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt -161.21 137.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.307 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -125.8 132.86 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -60.63 145.29 49.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.27 -37.06 11.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -131.86 82.66 59.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' THR . 14.9 mt-10 63.55 38.7 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLU . 68.3 p -37.09 -52.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.178 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.4 ttp -81.52 101.74 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' CB ' ' A' ' 38' ' ' CYS . 8.9 tp10 -52.96 156.14 2.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -82.09 58.36 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.6 mt -41.2 156.26 0.21 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.624 0.726 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 179.28 3.76 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.94 -178.54 4.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.737 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.4 tp -69.72 148.44 49.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 55.98 28.33 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 83.1 m -90.69 136.58 32.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 97' ' ' ASP . 93.3 mt -101.85 130.02 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 69' ' ' VAL . 7.6 p90 -149.14 159.29 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' CZ2' ' A' ' 68' ' ' TRP . 24.5 tt0 -95.34 122.15 37.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.78 159.58 22.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -109.68 134.83 51.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.606 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.4 t -63.54 132.55 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB2' ' HE2' ' A' ' 34' ' ' LYS . . . -118.48 -22.08 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 ttt -147.87 139.89 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 84.4 t -124.91 125.37 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.6 p -129.66 161.1 31.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.37 0.58 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -123.24 9.81 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.09 -167.64 27.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.89 147.14 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 43' ' ' LEU . 12.8 m-85 -93.33 134.6 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.7 mm -120.77 133.97 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 24' ' ' ALA . 28.3 mttm -85.4 123.03 30.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 59.4 mt -71.79 136.52 82.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.6 Cg_endo -69.72 126.57 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.89 33.08 78.77 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.443 ' CB ' ' HG2' ' A' ' 10' ' ' GLU . 61.5 m -141.75 -179.39 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -114.41 -49.3 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' A' ' 81' ' ' ILE . 22.3 mmtm -71.09 151.6 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -116.89 165.33 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 145.92 16.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.7 tp -96.27 138.9 33.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.775 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.5 t -112.95 106.69 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.15 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.408 ' HB3' HG22 ' A' ' 47' ' ' THR . 5.4 t-160 -53.61 148.33 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.847 ' O ' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.92 -31.37 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 45' ' ' HIS . 14.7 t -66.43 -29.46 69.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -87.93 -16.11 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.2 mtp -72.83 -47.3 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 54' ' ' VAL . 1.3 m -107.11 170.82 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -53.17 -69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.9 t -128.19 -71.04 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -77.81 137.56 38.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.847 HG21 ' O ' ' A' ' 46' ' ' ARG . 12.1 t -128.06 87.4 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.61 -68.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 18.3 mmtm -133.41 96.91 16.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.5 Cg_endo -69.82 -12.86 33.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.276 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 60.8 p -78.44 -7.76 57.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.08 -4.09 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.2 mt -87.27 -32.79 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' C ' ' CG ' ' A' ' 62' ' ' ASP . 23.0 m -133.59 -175.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -161.97 139.8 8.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -49.82 119.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.7 -20.67 10.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.61 131.93 34.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -94.74 135.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 m -141.23 169.09 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 97.7 m95 -99.74 130.52 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 19' ' ' PHE . 29.7 m -129.78 156.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.6 ttpp -128.77 126.94 41.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 15' ' ' LEU . 7.7 tp -59.51 127.78 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.552 HG21 ' HB2' ' A' ' 86' ' ' SER . 14.1 pt -111.55 -23.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.77 125.56 1.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 71' ' ' LEU . 15.1 ptt85 -118.38 130.0 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -145.39 125.8 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.6 mtm -114.39 115.02 26.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.31 147.53 26.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.9 -13.83 12.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -175.26 156.88 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.714 HD12 ' HE2' ' A' ' 40' ' ' LYS . 96.8 mt -94.98 130.45 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -115.47 129.08 56.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG13 HD11 ' A' ' 71' ' ' LEU . 60.1 t -131.28 127.7 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -112.12 129.46 56.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.775 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.8 mt -122.62 161.82 23.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.552 ' HB2' HG21 ' A' ' 72' ' ' ILE . 33.4 t -128.48 149.62 50.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.566 ' CG ' HG12 ' A' ' 69' ' ' VAL . 73.2 mtp -124.35 -33.19 3.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -63.15 -15.99 58.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG22 ' OG ' ' A' ' 86' ' ' SER . 32.7 m -104.82 1.52 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 21.4 t -128.07 132.38 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.64 142.7 42.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 25.2 mp0 -99.24 -11.6 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.07 -29.56 22.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -127.96 -40.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.24 30.61 8.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -99.64 148.31 24.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 18' ' ' ILE . 27.0 t0 -62.49 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.6 mt -97.78 -34.22 10.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -119.99 76.16 22.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -11.17 30.28 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.734 2.29 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -76.14 -32.89 59.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 54.9 47.65 21.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' O ' HG12 ' A' ' 103' ' ' VAL . 63.4 t -112.63 -9.75 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.95 -47.08 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.549 HG21 HG22 ' A' ' 72' ' ' ILE . 2.3 pp -53.31 -23.17 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' N ' HD12 ' A' ' 105' ' ' ILE . 55.0 mt-10 -76.75 118.02 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.8 t -47.98 -64.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.56 -167.14 20.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.5 Cg_endo -69.79 -27.26 26.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' PRO . 48.0 t -38.02 112.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.816 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.9 p -108.27 158.21 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.774 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.6 m -83.2 139.72 32.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 57.7 m -131.55 42.16 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -169.46 172.91 43.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 m -166.85 168.41 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.7 p -173.11 170.8 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 174.7 97.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmm -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -126.96 171.6 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 m -71.16 163.88 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.75 140.55 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 6' ' ' PRO . 30.3 ttp180 -61.97 139.26 95.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' THR . 53.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -41.33 92.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -134.17 166.17 23.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.2 tpp -76.23 85.47 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' ASN . 13.1 pt-20 -38.28 -48.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 3.0 t-20 -39.22 -48.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.85 155.95 81.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.685 0.755 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' O ' ' NH1' ' A' ' 74' ' ' ARG . 53.8 Cg_endo -69.79 -177.63 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.83 174.64 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.4 tp -67.21 142.8 56.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 62.55 26.61 15.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -87.48 135.8 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.8 mt -101.67 127.82 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CE1' HG12 ' A' ' 35' ' ' ILE . 14.6 p90 -149.55 163.63 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 21.9 tt0 -101.89 124.48 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.59 159.11 23.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -103.43 142.11 34.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -68.6 125.17 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.12 -22.85 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 ttt -148.0 140.38 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.621 HG22 HG23 ' A' ' 61' ' ' VAL . 53.5 t -121.88 124.08 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.45 HG21 ' CZ ' ' A' ' 29' ' ' TYR . 52.3 p -128.74 163.48 25.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.71 -2.51 20.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.807 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' CZ ' HG21 ' A' ' 27' ' ' THR . 26.1 p90 -119.51 8.48 11.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.92 -170.16 25.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.23 151.05 43.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -93.45 128.99 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 23' ' ' VAL . 49.9 mm -114.6 125.26 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 68.6 mttt -83.12 124.27 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 36' ' ' PRO . 49.2 mt -79.92 138.07 53.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.82 129.27 17.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.95 33.44 70.26 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -138.71 178.45 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -113.14 -53.15 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -75.12 153.98 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 53.9 mt-30 -115.26 164.86 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -119.93 153.33 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.88 136.08 45.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.1 t -110.32 115.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.622 ' ND1' HG22 ' A' ' 47' ' ' THR . 6.0 t-160 -53.69 142.37 23.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 47' ' ' THR . 12.4 ptt-85 -59.8 -31.54 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.622 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.0 t -77.87 -16.72 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 88' ' ' LYS . 22.8 m-70 -92.9 -27.63 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 61' ' ' VAL . 13.3 mtm -54.93 -41.01 70.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -132.68 145.4 51.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.1 p -64.59 -64.08 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.22 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -64.62 133.38 52.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -114.41 140.46 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.86 -30.18 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -132.27 83.32 55.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -21.56 33.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.27 . . . . 0.0 112.409 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 3.6 m -69.57 -9.76 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -106.88 -11.38 15.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.0 mt -84.57 -39.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.621 HG23 HG22 ' A' ' 26' ' ' VAL . 2.9 m -128.22 155.64 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.054 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -148.22 137.38 21.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -43.55 118.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.11 -21.42 9.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.42 135.72 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 17.3 ttpt -100.64 132.4 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.5 m -141.02 167.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' HB3' HG11 ' A' ' 90' ' ' VAL . 96.8 m95 -98.97 135.71 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.97 HG12 ' HG2' ' A' ' 87' ' ' MET . 10.8 m -136.72 161.28 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.722 ' CE ' HG21 ' A' ' 89' ' ' VAL . 11.6 ttpp -130.73 130.28 43.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.843 HD21 ' HB3' ' A' ' 74' ' ' ARG . 7.5 tp -62.64 126.53 27.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.3 pt -110.93 -22.33 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.46 119.3 0.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.843 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.0 ptm180 -119.3 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.814 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -139.87 124.25 18.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -116.65 114.14 23.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -117.21 146.13 43.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.63 -13.98 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.87 -29.69 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -175.28 157.0 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.75 123.94 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -108.55 127.63 54.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.06 126.47 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m -120.32 133.86 55.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.784 ' HB2' HG22 ' A' ' 44' ' ' VAL . 5.7 mt -126.68 160.48 30.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 p -131.71 149.4 52.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.97 ' HG2' HG12 ' A' ' 69' ' ' VAL . 51.3 mtp -123.44 -15.06 7.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HD3' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -71.94 -18.08 62.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.722 HG21 ' CE ' ' A' ' 70' ' ' LYS . 30.8 m -102.75 3.52 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.507 HG11 ' HB3' ' A' ' 68' ' ' TRP . 60.1 t -130.97 129.45 63.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 98' ' ' LEU . 5.8 t-20 -64.49 162.85 14.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -112.02 -29.74 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.75 -28.19 73.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 p -134.87 -39.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.7 18.16 19.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -81.28 145.3 30.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -58.01 137.87 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 91' ' ' ASN . 55.5 mt -111.89 -24.25 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -133.37 81.01 56.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.448 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.6 Cg_endo -69.78 -2.71 10.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 103' ' ' VAL . 2.5 t-20 -80.44 -30.3 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER 48.41 40.37 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 101' ' ' ASN . 62.2 t -108.93 -34.66 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.729 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.4 mp -53.72 -42.38 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.4 pp -52.7 -25.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.66 92.7 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.8 m -95.88 -55.06 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.86 96.15 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.73 3.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.4 t -80.48 100.36 8.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.7 t -136.4 138.47 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 1.8 t -57.36 92.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 66.5 m -101.27 155.54 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -152.06 125.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.7 t -75.67 -51.18 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 26.6 t -89.74 -47.49 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -89.79 88.85 1.5 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt -89.39 101.83 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 57.94 45.69 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -141.11 116.13 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.47 98.26 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -137.8 140.73 30.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.57 60.46 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.616 2.211 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -110.23 76.31 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.4 p -134.59 -175.68 3.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.11 50.93 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 11' ' ' ASN . 4.2 pt-20 -43.87 -38.74 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.1 m-20 -37.35 -48.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -81.17 153.28 71.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.8 Cg_endo -69.81 167.77 23.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.741 2.294 . . . . 0.0 112.263 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.19 176.91 9.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' A' ' 71' ' ' LEU . 12.8 tp -66.92 143.74 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 58.62 28.01 16.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -89.16 137.53 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.06 128.86 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CE1' HG12 ' A' ' 35' ' ' ILE . 18.4 p90 -151.48 159.78 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 16.7 tt0 -98.07 128.78 44.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.21 164.02 25.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -110.63 138.05 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.824 0.345 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.5 t -65.17 129.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.49 -22.06 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 5.2 ttt -147.6 138.52 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.02 123.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.3 p -126.25 160.76 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.89 2.13 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -125.58 10.12 7.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.39 -168.05 28.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.03 151.22 38.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 5.7 m-85 -95.29 126.19 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 23' ' ' VAL . 46.0 mm -112.32 118.65 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -77.44 130.7 37.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 ' HD2' ' A' ' 36' ' ' PRO . 40.8 mt -88.18 137.64 31.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.68 0.752 . . . . 0.0 111.138 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.8 128.16 15.6 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 35.08 61.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.5 m -139.14 176.97 8.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -116.63 -30.44 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HE2' HG21 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -120.26 156.3 31.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.03 160.21 13.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.59 139.33 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.375 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.72 HG22 ' HB2' ' A' ' 85' ' ' LEU . 79.0 t -112.12 110.35 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -54.18 152.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 47' ' ' THR . 7.9 ptt-85 -60.57 -35.85 77.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 5.3 t -67.84 -24.15 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.776 ' CE1' HG22 ' A' ' 105' ' ' ILE . 37.5 m-70 -95.08 -19.58 20.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.435 ' CE ' HG22 ' A' ' 61' ' ' VAL . 41.7 mtp -59.88 -25.55 65.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -169.56 147.19 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -75.79 -51.39 12.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.0 m -51.17 177.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 18.9 ttm105 -60.75 101.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.652 HG13 HD11 ' A' ' 60' ' ' ILE . 92.4 t -75.86 97.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -79.1 -46.9 17.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -152.35 126.1 4.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.534 0.683 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 54.1 Cg_endo -69.68 -13.38 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.774 2.316 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.3 p -74.25 -25.32 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.33 -7.14 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.652 HD11 HG13 ' A' ' 54' ' ' VAL . 32.6 mt -85.12 -35.15 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CE ' ' A' ' 49' ' ' MET . 27.2 m -153.68 179.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.55 138.36 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 23' ' ' VAL . 90.1 t -40.68 114.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.77 -23.6 6.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 137.05 34.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 34.1 ttpt -101.76 131.92 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.494 HG21 ' CE ' ' A' ' 87' ' ' MET . 36.0 m -140.95 169.97 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -98.58 133.83 42.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.745 HG12 ' HG2' ' A' ' 87' ' ' MET . 27.5 m -136.04 156.55 37.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -130.15 126.47 37.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 74' ' ' ARG . 11.4 tp -59.41 128.91 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.53 ' CG2' HG21 ' A' ' 105' ' ' ILE . 9.7 pt -110.38 -29.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.98 109.96 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.892 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptm180 -111.88 129.85 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -134.99 123.77 23.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt -118.32 113.94 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -116.72 144.38 44.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -13.75 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 15.0 m-20 -98.16 -31.5 12.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 28.0 mtp180 -167.18 157.14 10.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 ' HE2' ' A' ' 40' ' ' LYS . 85.9 mt -118.68 127.0 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -123.75 128.96 50.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 71' ' ' LEU . 58.9 t -127.98 129.1 69.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -112.89 131.28 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.829 HD23 HD12 ' A' ' 71' ' ' LEU . 60.6 mt -125.01 151.5 45.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' HG21 ' A' ' 72' ' ' ILE . 16.8 p -121.3 151.27 40.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.745 ' HG2' HG12 ' A' ' 69' ' ' VAL . 91.8 mtp -126.06 -27.79 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -69.03 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 86' ' ' SER . 27.8 m -111.85 28.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.408 HG11 ' HB3' ' A' ' 68' ' ' TRP . 38.7 t -149.76 131.58 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.95 131.68 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -93.21 38.11 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -143.27 -43.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.1 p -118.98 -23.68 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.83 21.98 51.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -82.58 136.58 34.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.66 121.89 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.73 -28.38 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' OD2' ' CD1' ' A' ' 104' ' ' ILE . 3.9 t70 -125.06 79.46 65.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.07 4.77 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.44 ' C ' ' CG ' ' A' ' 102' ' ' ASN . 0.9 OUTLIER -90.87 -34.18 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.44 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.1 OUTLIER 47.55 51.5 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.0 -21.61 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -61.75 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.776 HG22 ' CE1' ' A' ' 48' ' ' HIS . 2.7 pp -54.85 -23.33 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -77.95 96.22 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.2 p -133.58 120.35 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.38 78.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 146.47 60.88 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.1 p -117.24 -42.53 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m 61.43 41.95 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.2 m -108.1 108.51 19.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.8 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.1 t -116.66 -47.73 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 130.85 174.87 13.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.2 m -81.55 119.74 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.794 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.2 t -63.36 150.97 42.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.81 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -82.09 164.49 44.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.3 mtp -54.21 120.49 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -77.57 156.0 31.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -115.87 85.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' ARG . . . -174.96 165.51 36.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' GLY . 12.3 ttt85 -33.91 97.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' GLY . 54.2 Cg_endo -69.78 130.08 18.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -78.34 104.37 8.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.0 p -81.89 135.56 35.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -65.38 166.72 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' MET . 42.2 mt-10 -34.68 142.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -83.37 49.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.49 152.53 92.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 52.7 Cg_endo -69.78 169.02 19.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.247 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 174.92 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.2 tp -65.28 140.77 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 20.0 m-85 62.99 28.02 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.6 m -90.08 135.8 33.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -101.31 130.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 11.2 p90 -151.55 160.2 43.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 15.4 tt0 -96.39 127.07 42.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.12 161.44 25.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -108.31 141.06 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 33' ' ' ILE . 41.7 t -67.47 133.35 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.96 -23.72 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.1 ttt -145.43 140.52 27.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.9 t -124.58 125.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 31.5 p -129.78 162.11 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.05 0.02 10.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 27' ' ' THR . 39.7 p90 -119.42 1.02 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.26 -163.12 30.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.32 147.98 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 43' ' ' LEU . 58.9 m-85 -93.69 135.3 35.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' HG22 ' A' ' 23' ' ' VAL . 24.6 mm -120.96 127.83 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 26.3 mtmt -81.22 128.28 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 36' ' ' PRO . 61.3 mt -85.8 136.06 37.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 111.146 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.0 Cg_endo -69.74 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.3 37.15 11.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.426 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -156.39 174.86 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -111.27 -44.31 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -74.01 143.92 45.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' NE2' ' HG2' ' A' ' 34' ' ' LYS . 24.4 mt-30 -117.01 154.71 30.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.0 160.81 15.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.9 tp -111.56 134.77 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 85' ' ' LEU . 92.7 t -107.06 108.5 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -55.64 149.35 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.02 -31.15 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -67.25 -31.86 72.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.786 ' HE1' HG22 ' A' ' 105' ' ' ILE . 91.7 m-70 -90.63 -28.46 18.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 33.3 mtp -44.17 -33.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 54' ' ' VAL . 32.5 t -154.19 160.87 42.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 t -84.85 -50.14 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.03 178.93 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 13.8 ttm105 -60.01 108.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.6 t -88.72 110.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -111.46 -35.56 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 45.2 mttp -133.37 88.95 33.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.9 Cg_endo -69.78 -20.64 34.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -73.09 -12.12 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -102.56 -6.15 23.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.42 -39.7 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.05 167.73 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.19 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.09 139.61 20.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.0 116.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.66 -18.86 9.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -86.56 136.9 32.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 25.0 ttpt -100.11 131.91 45.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.1 m -141.04 170.09 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.3 m95 -100.23 129.9 46.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.648 HG12 ' HG2' ' A' ' 87' ' ' MET . 24.3 m -128.59 161.92 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' CE ' HG21 ' A' ' 89' ' ' VAL . 10.2 ttpp -134.18 125.83 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.84 HD21 ' HB3' ' A' ' 74' ' ' ARG . 14.8 tp -58.93 129.84 44.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 86' ' ' SER . 6.0 pt -113.11 -24.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.39 113.85 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.84 ' HB3' HD21 ' A' ' 71' ' ' LEU . 7.6 ptm180 -117.77 130.75 56.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -141.46 124.02 15.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.61 114.04 24.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.03 143.83 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -60.14 -13.86 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.32 -27.49 13.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 80' ' ' ARG . 2.6 ptm85 -175.1 153.06 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.5 mt -114.59 129.18 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.52 124.14 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.5 m -131.25 133.17 62.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -126.34 141.25 51.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD23 HD12 ' A' ' 71' ' ' LEU . 20.3 mt -129.22 162.79 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.727 ' OG ' HG22 ' A' ' 89' ' ' VAL . 31.4 t -126.12 146.78 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' HG12 ' A' ' 69' ' ' VAL . 80.8 mtp -121.44 -21.87 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -78.58 -12.88 60.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.727 HG22 ' OG ' ' A' ' 86' ' ' SER . 34.1 m -104.8 13.09 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -138.08 129.49 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -61.35 133.28 55.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -98.57 50.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.61 -35.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.8 p -125.16 -21.2 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.31 28.23 41.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -90.51 137.41 32.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 130.24 45.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.0 mt -106.18 -5.33 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -131.36 81.15 66.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.893 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.42 3.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.653 ' ND2' HG12 ' A' ' 103' ' ' VAL . 25.0 p-10 -112.47 -30.75 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.481 ' CG ' ' C ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER 49.62 52.61 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.653 HG12 ' ND2' ' A' ' 101' ' ' ASN . 10.6 p -119.66 -21.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.62 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.8 mp -52.28 -45.53 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.786 HG22 ' HE1' ' A' ' 48' ' ' HIS . 2.6 pp -63.15 -19.12 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -66.98 120.83 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.6 m -98.17 177.33 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.77 83.69 1.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 85.92 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.8 t -104.93 136.67 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -69.75 148.13 49.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' -4' ' ' SER . 67.2 m -108.73 -48.51 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' -5' ' ' SER . 59.7 p 35.29 42.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -103.68 -172.87 25.72 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 8.2 t -52.18 148.58 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -62.0 128.77 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 152.79 -62.23 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt -69.43 108.92 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -53.11 125.95 19.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -48.34 159.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.57 -123.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 -126.77 85.71 60.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 152.15 68.75 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.651 2.234 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.59 72.32 7.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -118.59 127.04 53.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.62 ' CE ' HD13 ' A' ' 81' ' ' ILE . 3.5 mpp? -55.87 88.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -38.69 -40.95 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -48.83 -54.01 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 40' ' ' LYS . 33.0 mt -65.53 145.8 99.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.31 -176.16 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -71.34 144.61 49.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 60.76 29.09 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.9 m -90.61 133.99 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 95' ' ' GLY . 84.9 mt -102.14 127.41 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -149.53 161.36 42.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 12.8 tt0 -96.07 130.09 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 163.43 25.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -113.38 142.48 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HB ' ' A' ' 61' ' ' VAL . 40.5 t -66.79 134.24 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.43 -20.81 5.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.9 ttt -146.95 140.34 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.54 124.02 71.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.7 p -126.07 157.9 36.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -5.61 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -116.31 6.47 13.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.25 -166.35 28.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -141.62 151.53 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 43' ' ' LEU . 53.4 m-85 -96.83 134.96 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 HG11 ' A' ' 69' ' ' VAL . 50.2 mm -116.42 131.43 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -85.71 127.28 34.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 36' ' ' PRO . 51.0 mt -82.18 134.07 49.76 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 0.0 111.196 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.77 133.35 25.35 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.2 28.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.28 175.31 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.75 0.31 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -112.36 -38.46 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB3' HD21 ' A' ' 12' ' ' LEU . 8.3 tppt? -72.0 145.36 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -114.67 154.8 27.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 85' ' ' LEU . . . -115.36 148.13 18.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 32' ' ' PHE . 12.0 tp -97.14 140.74 31.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.878 HG22 ' HB2' ' A' ' 85' ' ' LEU . 47.0 t -115.7 116.38 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.609 ' ND1' HG22 ' A' ' 47' ' ' THR . 5.1 t-160 -53.44 144.09 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -59.03 -32.46 69.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' ND1' ' A' ' 45' ' ' HIS . 10.5 t -77.99 -16.46 58.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -93.53 -17.26 23.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.401 ' CE ' ' CB ' ' A' ' 57' ' ' PRO . 26.4 mtm -69.36 -34.33 74.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 t -146.3 144.55 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 p -79.23 -47.69 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.16 -177.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 5.7 tmm_? -59.88 132.78 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 60' ' ' ILE . 16.3 t -119.04 119.71 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.51 -44.3 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -147.85 121.95 4.93 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.571 0.701 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' CB ' ' CE ' ' A' ' 49' ' ' MET . 53.6 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.272 . . . . 0.0 112.338 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -75.53 -17.91 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -103.76 5.99 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.932 HD11 HG13 ' A' ' 54' ' ' VAL . 15.6 mt -105.76 -36.46 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 31' ' ' ALA . 4.4 m -133.44 162.37 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -154.44 141.64 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -49.89 121.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.33 -27.73 7.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.98 126.91 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -94.59 131.96 39.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.4 m -141.13 170.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.508 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 97.4 m95 -99.01 133.2 43.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.7 m -131.3 155.51 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -129.66 126.56 38.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.803 HD12 HD23 ' A' ' 85' ' ' LEU . 6.1 tp -61.12 130.13 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 HG21 ' A' ' 105' ' ' ILE . 11.0 pt -117.2 -19.67 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.47 115.27 0.58 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.679 ' HB3' HD21 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -117.35 123.12 45.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.811 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -132.44 123.72 27.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 ptm -118.26 119.12 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 78' ' ' ASN . 6.1 tmtm? -115.18 149.68 37.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.476 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 54.7 m-20 -59.85 -14.01 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' H ' ' CD ' ' A' ' 77' ' ' LYS . 2.6 t70 -98.24 -28.69 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.47 ' CZ ' ' HD2' ' A' ' 82' ' ' LYS . 19.9 ptt180 -175.17 156.58 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.62 HD13 ' CE ' ' A' ' 9' ' ' MET . 61.5 mt -122.89 128.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HD2' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mtpm? -128.3 129.18 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.748 ' CG1' HD11 ' A' ' 71' ' ' LEU . 21.5 t -116.0 132.46 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -103.64 130.2 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.878 ' HB2' HG22 ' A' ' 44' ' ' VAL . 49.1 mt -126.43 155.72 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -130.22 145.05 51.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.713 ' HG2' HG12 ' A' ' 69' ' ' VAL . 70.1 mtp -120.79 -21.71 6.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -72.99 -9.98 59.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.12 11.71 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.17 142.17 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -76.98 125.39 29.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.07 45.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.53 -35.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.6 p -124.32 -26.21 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 18' ' ' ILE . . . 82.44 31.23 31.19 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -96.35 133.77 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.85 123.12 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -92.87 -30.35 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.45 79.93 60.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.18 9.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.309 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -87.6 -27.81 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.78 42.51 31.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -26.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.513 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.2 mp -69.85 -46.3 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -51.84 -25.31 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -65.76 -61.0 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m -124.24 116.87 23.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.17 147.0 3.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -2.14 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.8 p -55.29 112.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.3 t -125.48 111.02 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 44.5 p -108.45 120.9 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.388 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.6 t -124.71 140.75 52.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -177.28 65.43 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 m -85.73 162.36 18.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.1 m -38.84 135.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -146.17 70.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttm -90.78 95.57 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -109.33 146.3 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -133.54 138.89 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.09 79.73 1.31 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -88.0 145.6 36.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.0 58.61 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -61.49 106.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 t -138.78 154.84 48.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.7 113.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -102.13 -41.19 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -38.12 -62.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -45.04 156.86 0.35 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.707 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.12 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.01 179.6 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.5 tp -68.9 149.4 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 102' ' ' ASN . 43.8 m-85 54.88 25.07 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -84.4 133.98 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -101.41 128.52 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 10.9 p90 -149.28 164.2 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 11.1 tt0 -97.01 127.13 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.16 163.87 25.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -111.71 146.44 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.46 125.43 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.2 -20.73 11.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 ttt -146.59 135.12 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.55 123.95 72.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -128.2 160.93 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -7.35 40.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -114.36 10.9 17.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.45 -166.59 26.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.97 151.84 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -94.45 132.14 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.704 HG13 HG11 ' A' ' 69' ' ' VAL . 43.2 mm -114.0 131.32 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -85.82 127.41 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 19' ' ' PHE . 64.3 mt -86.82 130.15 49.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.85 7.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.614 2.209 . . . . 0.0 112.377 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.21 27.69 24.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.8 m -145.47 176.54 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -114.93 -24.99 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -93.08 151.74 19.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -121.25 149.69 42.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.642 ' HA2' HG23 ' A' ' 83' ' ' VAL . . . -104.61 157.3 16.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.63 140.77 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 85' ' ' LEU . 61.5 t -112.4 111.3 35.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' ND1' HG22 ' A' ' 47' ' ' THR . 7.0 t-160 -54.06 149.14 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.05 -33.78 72.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' ND1' ' A' ' 45' ' ' HIS . 12.5 t -71.01 -22.38 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.1 -10.67 32.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 35.0 mtp -68.16 -36.75 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.692 ' HB3' HG22 ' A' ' 54' ' ' VAL . 2.0 t -151.96 146.11 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -73.06 -44.89 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m -61.63 -177.01 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -63.52 100.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 50' ' ' SER . 34.3 t -82.6 114.93 24.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -112.88 -48.96 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -124.15 97.66 40.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -12.73 33.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -80.61 -19.52 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -93.47 -3.07 53.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 mt -93.33 -36.11 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -145.4 171.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.96 148.21 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.32 113.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.11 -25.35 5.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.47 136.1 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HE3' ' NE2' ' A' ' 20' ' ' GLN . 22.5 ttpt -101.77 131.83 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.13 170.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.0 m95 -97.98 132.67 43.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.754 HG12 ' CG ' ' A' ' 87' ' ' MET . 34.0 m -128.86 163.63 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.4 ttmt -136.77 126.34 25.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.7 tp -62.67 133.64 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 86' ' ' SER . 8.0 pt -118.4 -23.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.38 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.992 ' HB3' HD21 ' A' ' 71' ' ' LEU . 17.3 ptt-85 -118.21 129.98 55.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.725 0.297 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -144.76 123.95 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -115.46 114.16 24.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -116.3 148.8 40.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -13.88 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -94.22 -32.4 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.475 ' CZ ' ' HE2' ' A' ' 82' ' ' LYS . 17.3 ptm180 -175.76 157.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.81 118.45 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HE2' ' CZ ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -104.54 124.87 50.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG23 ' HA2' ' A' ' 42' ' ' GLY . 1.3 m -134.12 133.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 m -125.47 134.76 51.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.628 ' HB2' HG22 ' A' ' 44' ' ' VAL . 21.1 mt -125.06 161.25 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 8.1 t -135.12 142.68 46.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.754 ' CG ' HG12 ' A' ' 69' ' ' VAL . 53.6 mtp -112.78 -29.72 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.8 pttt -61.98 -19.36 62.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.467 HG12 ' OD2' ' A' ' 99' ' ' ASP . 4.1 m -102.62 21.32 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 70' ' ' LYS . 16.8 t -148.18 134.69 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.9 124.51 24.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -86.24 51.11 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.93 -34.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.7 p -125.12 -31.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.04 28.59 17.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.14 134.56 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.773 0.32 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -56.34 116.53 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.97 -35.33 17.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.707 ' OD1' HD13 ' A' ' 104' ' ' ILE . 2.9 m-20 -113.96 76.46 3.32 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.648 0.737 . . . . 0.0 110.941 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -19.41 36.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.44 -42.22 53.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 8.9 m-80 67.31 42.86 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.72 -17.55 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.707 HD13 ' OD1' ' A' ' 99' ' ' ASP . 4.3 mp -79.18 -53.9 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -49.85 -25.05 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.96 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -40.47 135.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 170.85 68.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.276 . . . . 0.0 112.359 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -40.26 118.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -82.2 158.02 23.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 65.7 p -81.99 117.16 21.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.0 t -156.98 142.94 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -122.45 -70.55 0.25 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.2 m 52.45 42.44 31.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 53.4 p -88.84 133.53 34.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -124.08 130.82 7.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt -64.02 158.19 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -92.58 177.15 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -163.57 171.03 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.24 119.19 1.85 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -134.19 136.81 26.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -179.22 2.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.04 88.95 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 p -110.17 164.59 12.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.27 41.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -88.71 54.44 3.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -65.44 -28.21 69.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.86 157.28 30.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.639 0.733 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.72 175.94 7.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.3 172.39 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 ' HA ' HD23 ' A' ' 71' ' ' LEU . 17.9 tp -65.97 145.2 56.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 23.3 m-85 58.72 26.97 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 m -89.88 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.2 mt -101.97 132.8 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -154.49 164.68 38.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.557 ' NE2' ' NE1' ' A' ' 68' ' ' TRP . 8.5 tt0 -100.47 123.47 44.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.09 162.46 23.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -108.61 138.8 44.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 33' ' ' ILE . 46.5 t -67.65 126.11 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.36 -21.86 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.515 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 13.7 ttt -147.61 139.75 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.06 123.98 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.7 p -128.74 160.79 31.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -6.56 40.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -117.36 11.72 14.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 145.93 -168.96 27.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.08 148.66 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 14.4 m-85 -93.33 134.65 35.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' CD1' HG22 ' A' ' 23' ' ' VAL . 11.5 mm -121.25 131.76 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.072 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HE2' ' NE2' ' A' ' 41' ' ' GLN . 44.5 mttt -84.8 130.09 34.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 36' ' ' PRO . 55.9 mt -89.77 137.47 28.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.724 . . . . 0.0 111.188 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.1 Cg_endo -69.78 123.35 10.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.94 36.37 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 96.2 m -146.25 170.19 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -109.12 -37.21 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmtm -88.76 152.04 22.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' NE2' ' HE2' ' A' ' 34' ' ' LYS . 23.1 mt-30 -115.51 164.47 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.0 150.76 18.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -99.56 134.81 41.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.401 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.787 HG22 ' HB2' ' A' ' 85' ' ' LEU . 82.8 t -105.93 110.93 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.27 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -59.21 -32.09 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 13.4 t -64.89 -32.03 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.56 -12.89 30.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.1 mtp -64.13 -24.65 67.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.733 ' HB3' HG22 ' A' ' 54' ' ' VAL . 13.4 t -162.85 147.72 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -68.16 -66.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 96.6 m -47.16 171.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.7 99.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 50' ' ' SER . 48.0 t -68.18 119.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -46.4 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 21.0 mtmm -140.68 104.92 6.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.532 0.682 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.7 -19.53 36.3 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 t -72.55 -10.21 59.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -106.34 1.19 25.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mt -90.89 -36.56 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG21 HG21 ' A' ' 23' ' ' VAL . 2.4 m -144.44 177.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -154.79 138.71 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -38.83 122.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -22.81 19.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.15 130.77 35.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 16.3 ttmt -94.66 131.96 39.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.5 m -141.06 170.01 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.557 ' NE1' ' NE2' ' A' ' 20' ' ' GLN . 99.2 m95 -99.68 132.51 44.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.887 HG12 ' HG2' ' A' ' 87' ' ' MET . 19.6 m -134.85 158.28 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HE2' HG21 ' A' ' 89' ' ' VAL . 20.0 ttpt -128.69 131.05 47.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 74' ' ' ARG . 5.9 tp -64.23 128.71 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 pt -110.17 -30.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.36 114.18 0.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.94 ' HB3' HD21 ' A' ' 71' ' ' LEU . 8.9 ptt85 -116.91 129.97 56.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.822 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.02 123.81 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.4 mtp -118.03 113.96 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -116.52 143.91 45.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -59.36 -13.8 9.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 32.7 t70 -97.99 -30.06 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 24.5 mtt180 -168.64 157.15 8.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.497 HD12 ' HE2' ' A' ' 40' ' ' LYS . 52.3 mt -116.94 129.02 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -122.29 129.08 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.07 128.45 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 m -121.27 132.74 54.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.837 ' CD2' HD12 ' A' ' 71' ' ' LEU . 10.5 mt -124.58 160.73 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.588 ' HB2' HG22 ' A' ' 89' ' ' VAL . 2.8 p -126.57 151.04 48.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.887 ' HG2' HG12 ' A' ' 69' ' ' VAL . 71.1 mtp -124.94 -24.84 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -72.89 -19.57 61.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 86' ' ' SER . 30.5 m -96.91 5.5 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -129.66 144.94 36.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -77.63 151.67 34.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -105.03 -12.63 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.51 -47.39 4.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -117.38 -24.12 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.53 56.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -72.63 160.48 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -78.17 127.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 40.0 mt -95.86 -28.77 14.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.56 77.47 75.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.389 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.56 -40.09 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 16' ' ' TYR . 1.4 m-80 65.44 51.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -118.73 -13.67 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.5 mp -90.39 -37.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.623 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -53.25 -21.23 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.9 pt-20 -102.63 89.74 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.4 m -101.21 128.17 47.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -92.8 -176.1 41.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.05 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.7 t 49.41 42.95 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.1 p -57.84 158.73 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.3 p -73.48 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.903 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' -3' ' ' GLY . 8.0 t -140.54 165.27 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.83 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' -4' ' ' SER . . . -37.47 145.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.0 m -122.17 166.4 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.4 p -90.32 175.77 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -105.02 90.14 0.68 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm -93.5 83.57 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -134.99 144.03 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -66.24 165.07 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 97.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -96.45 157.05 36.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 166.21 28.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -129.19 114.87 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.2 p -109.92 -50.67 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.0 171.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -88.23 20.53 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.8 mt -43.73 152.63 0.43 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.8 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.91 173.77 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 71' ' ' LEU . 22.0 tp -65.91 141.99 58.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 62.89 25.32 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -90.51 135.23 33.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -101.34 126.69 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 35' ' ' ILE . 11.6 p90 -143.01 162.94 34.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.575 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 20.9 tt0 -100.58 121.97 42.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.53 163.94 24.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -109.74 137.45 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 33' ' ' ILE . 54.9 t -63.48 133.24 29.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.64 -20.71 8.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 8.7 ttt -148.05 139.71 23.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.3 t -121.18 124.0 71.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.9 p -123.3 159.47 28.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.52 0.85 9.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -128.39 11.64 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.04 -167.46 31.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.61 149.72 30.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 2.2 m-85 -93.44 136.89 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.577 ' CD1' HG22 ' A' ' 23' ' ' VAL . 27.4 mm -121.67 129.36 75.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -82.5 129.86 35.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 36' ' ' PRO . 53.0 mt -87.46 138.02 32.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.733 0.777 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 35' ' ' ILE . 54.1 Cg_endo -69.71 112.91 3.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.1 43.91 7.32 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 50.9 m -150.73 177.9 9.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -116.72 -35.77 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' CE ' ' HB ' ' A' ' 81' ' ' ILE . 9.0 tptp -88.34 144.64 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -108.4 161.19 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.75 142.24 17.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 tp -93.59 137.65 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.692 HG22 ' HB2' ' A' ' 85' ' ' LEU . 84.3 t -109.72 105.79 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.211 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.65 ' ND1' HG22 ' A' ' 47' ' ' THR . 13.4 t-160 -51.86 146.04 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -60.5 -32.16 71.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.2 t -67.61 -22.95 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -94.97 -23.96 17.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 57' ' ' PRO . 23.8 mtp -50.37 -53.01 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -132.42 145.29 51.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -67.1 -58.12 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.4 m -59.59 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -60.37 146.55 43.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -124.17 137.02 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.36 -40.92 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -145.9 105.02 4.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 54.2 Cg_endo -69.77 -15.69 37.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -74.81 -12.24 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -102.81 -5.19 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.3 mt -85.14 -41.05 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -139.53 171.4 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.3 144.1 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.32 116.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.19 -22.51 7.51 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -84.1 128.72 34.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 21.4 ttpt -97.35 134.25 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.99 169.36 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 96.4 m95 -99.45 133.11 44.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.902 HG12 ' HG2' ' A' ' 87' ' ' MET . 12.6 m -139.17 157.84 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.923 ' HE3' HG21 ' A' ' 89' ' ' VAL . 9.9 pttp -126.8 137.89 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.6 tp -66.31 130.85 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 84' ' ' SER . 4.6 pt -111.78 -23.43 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.28 112.94 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HB3' HD21 ' A' ' 71' ' ' LEU . 14.8 ptm180 -109.43 122.95 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -131.74 123.87 28.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' MET . 3.3 ppp? -117.97 121.48 40.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -117.24 148.55 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.4 -13.78 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -100.33 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -175.79 154.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' HB ' ' CE ' ' A' ' 40' ' ' LYS . 60.9 mt -119.05 122.27 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -115.56 129.08 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.8 t -121.29 128.39 75.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 72' ' ' ILE . 1.9 m -106.73 130.27 54.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' HB2' HG22 ' A' ' 44' ' ' VAL . 50.9 mt -125.64 159.93 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.527 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.2 t -128.3 154.0 46.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.902 ' HG2' HG12 ' A' ' 69' ' ' VAL . 75.5 mtp -124.75 -35.51 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -62.12 -11.29 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.923 HG21 ' HE3' ' A' ' 70' ' ' LYS . 28.9 m -108.88 20.5 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 68' ' ' TRP . 11.0 t -146.13 141.9 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.154 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -76.93 129.8 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -89.26 38.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.74 -36.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 p -122.74 -21.6 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.153 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.72 21.93 60.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.447 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -84.12 137.15 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.02 127.85 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.7 mt -96.14 -15.99 21.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 16.9 p-10 -129.08 78.9 75.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.634 0.731 . . . . 0.0 110.846 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 1.16 4.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -99.6 -37.17 9.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.72 47.49 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 101' ' ' ASN . 61.5 t -111.83 -12.16 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.1 mp -84.02 -46.31 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.6 pp -59.35 -19.65 16.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -81.36 98.29 8.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.0 p -59.0 -64.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 98.27 -159.37 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.534 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 110' ' ' SER . 53.5 Cg_endo -69.79 -0.95 7.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 109' ' ' PRO . 27.9 m -35.44 -55.88 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.8 p -46.84 151.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.5 m 40.84 42.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.894 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.5 p -143.86 139.61 29.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -128.22 44.94 1.18 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.55 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.2 p -58.2 174.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.8 m -107.04 148.98 28.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 145.09 -109.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -42.69 -63.24 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.697 0.284 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -43.69 140.92 1.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 46.39 37.46 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.57 24.72 7.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -58.38 155.38 27.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 167.13 25.41 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -94.87 101.83 13.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.03 -14.81 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.83 40.14 3.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -43.03 -29.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -45.27 -54.9 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.99 146.69 97.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.7 Cg_endo -69.72 -173.89 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.93 -178.42 4.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 71' ' ' LEU . 28.9 tp -69.23 147.84 50.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 57.73 25.61 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.2 m -89.46 143.71 26.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' CG ' ' A' ' 97' ' ' ASP . 91.7 mt -109.78 135.86 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CE1' HG12 ' A' ' 35' ' ' ILE . 21.1 p90 -156.56 163.39 39.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' CD ' ' HE2' ' A' ' 66' ' ' LYS . 31.3 tt0 -95.08 127.83 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.5 157.63 23.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -107.65 140.11 41.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 61' ' ' VAL . 31.6 t -67.62 128.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.73 -24.46 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttt -143.03 139.37 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -120.54 124.01 71.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -123.14 159.66 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.39 0.28 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -127.54 11.36 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.1 -164.44 29.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -150.84 150.04 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -93.39 134.45 35.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 69' ' ' VAL . 51.2 mm -115.62 129.66 71.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 44.8 mtmt -85.04 126.46 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 19' ' ' PHE . 54.6 mt -85.95 133.67 40.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.709 0.766 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.4 Cg_endo -69.8 118.74 5.86 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.82 36.47 11.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.1 m -147.44 177.14 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -115.07 -33.44 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HE3' HD12 ' A' ' 81' ' ' ILE . 32.8 mmtt -90.61 155.63 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -123.13 155.15 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.05 160.4 13.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.8 tp -108.89 138.67 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.851 HG22 ' HB2' ' A' ' 85' ' ' LEU . 58.5 t -112.89 115.87 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.601 ' ND1' HG22 ' A' ' 47' ' ' THR . 3.3 t-160 -54.43 143.04 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 47' ' ' THR . 7.9 ppt_? -58.89 -31.27 68.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.601 HG22 ' ND1' ' A' ' 45' ' ' HIS . 6.8 t -77.99 -14.07 59.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -96.79 -19.06 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.4 mtm -68.74 -36.69 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 t -144.75 140.34 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -80.2 -51.46 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.9 p -48.12 176.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 ttt85 -59.89 98.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG13 HD11 ' A' ' 60' ' ' ILE . 2.8 t -78.83 125.96 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -108.03 -47.44 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -142.57 113.64 6.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.623 0.725 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -16.89 37.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 t -77.03 -11.72 59.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.13 0.35 23.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 54' ' ' VAL . 22.0 mt -99.47 -32.03 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 31' ' ' ALA . 3.9 m -134.88 152.83 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.98 143.31 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.29 115.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.21 -21.67 7.71 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.528 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -85.62 127.81 34.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HE2' ' CD ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.51 133.76 39.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 87' ' ' MET . 34.2 m -141.23 164.46 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.13 129.87 37.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 87' ' ' MET . 33.0 m -127.74 155.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HE2' HG21 ' A' ' 89' ' ' VAL . 20.4 ttpt -130.87 126.96 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 15' ' ' LEU . 13.8 tp -63.56 128.81 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 105' ' ' ILE . 17.5 pt -111.66 -24.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.24 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.76 ' HB3' HD21 ' A' ' 71' ' ' LEU . 9.0 ptt85 -121.58 123.13 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.721 0.296 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -130.39 124.01 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.0 mtp -113.45 113.97 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -116.81 145.61 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.74 -13.88 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 -31.66 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -175.38 157.04 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.578 HD12 ' HE3' ' A' ' 40' ' ' LYS . 60.4 mt -103.3 124.61 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -107.52 128.88 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.2 t -131.63 120.06 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -112.27 129.31 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.851 ' HB2' HG22 ' A' ' 44' ' ' VAL . 19.5 mt -122.8 161.36 24.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 t -134.44 144.97 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.634 ' CG ' HG12 ' A' ' 69' ' ' VAL . 75.3 mtp -117.44 -24.24 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -66.84 -13.99 62.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.535 HG21 ' HE2' ' A' ' 70' ' ' LYS . 34.3 m -108.9 17.35 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 t -141.78 138.05 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -72.65 128.98 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -91.92 52.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.56 -36.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -123.22 -26.92 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.208 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.92 29.78 22.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.426 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -94.17 134.68 36.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.521 ' CG ' HD11 ' A' ' 18' ' ' ILE . 20.0 t0 -59.53 123.18 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.72 -33.99 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' A' ' 104' ' ' ILE . 5.3 t70 -112.34 75.69 1.76 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -10.89 29.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -84.24 -37.53 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 59.57 48.33 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -105.6 -28.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 104' ' ' ILE . 4.7 mp -70.43 -48.98 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 72' ' ' ILE . 2.4 pp -51.69 -25.74 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.418 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.8 tm-20 -83.1 50.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 98.7 p -120.3 128.56 53.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.89 -80.63 0.34 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.226 . . . . 0.0 112.389 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.5 m -131.81 -48.42 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -98.85 112.36 24.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 87.4 p 40.48 42.59 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.9 p -124.83 156.73 37.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -145.22 -100.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m 56.49 41.71 28.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 47.5 t -131.23 112.74 13.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.09 144.37 3.91 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.63 176.42 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.661 0.267 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -149.3 133.07 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -129.59 108.14 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.83 164.67 10.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.56 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 149.74 97.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 140.52 42.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.47 129.25 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' MET . 50.0 p -123.11 111.85 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' THR . 13.5 mmm -34.95 -59.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -93.96 -177.48 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -105.35 39.83 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 mt -55.19 155.86 8.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.673 0.749 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 171.89 13.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.5 178.05 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -67.33 152.83 45.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 51.56 27.05 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -89.42 140.06 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -107.64 131.55 57.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' A' ' 69' ' ' VAL . 12.5 p90 -149.56 165.11 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 21.0 tt0 -101.48 122.45 43.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.97 162.89 24.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.93 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 61' ' ' VAL . 26.3 t -66.33 126.23 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -111.18 -23.63 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttt -147.04 138.84 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.2 t -121.33 124.03 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -128.09 156.79 42.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.57 -6.09 28.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -118.39 8.81 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.35 -172.64 30.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.51 148.01 33.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 43' ' ' LEU . 4.6 m-85 -97.67 132.87 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.4 mm -116.0 144.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.146 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 52.5 mttt -90.44 131.51 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.6 mt -90.36 131.42 38.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.632 0.73 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.19 9.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 20.77 60.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.446 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.05 168.62 19.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.824 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -104.33 -43.49 5.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -69.99 156.44 39.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -121.01 165.16 15.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.85 147.7 17.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.6 tp -100.74 141.59 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 85' ' ' LEU . 95.3 t -116.48 105.96 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.423 ' ND1' HG22 ' A' ' 47' ' ' THR . 2.7 t-160 -49.34 149.15 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' O ' HG21 ' A' ' 54' ' ' VAL . 10.9 ptt180 -59.14 -31.35 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.3 t -74.98 -20.06 59.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -95.92 -22.2 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.9 mtp -52.62 -51.73 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -131.01 152.18 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.6 t -70.38 -61.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 m -55.91 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.54 125.49 24.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 46' ' ' ARG . 42.0 t -96.0 130.83 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -113.37 -52.5 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -136.76 112.41 9.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.564 0.697 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.81 27.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.316 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 m -71.11 -7.94 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.54 -1.35 24.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -93.94 -48.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 23' ' ' VAL . 4.8 m -135.29 173.51 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.45 139.41 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 63.4 t -38.24 117.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -20.67 10.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.12 127.99 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HE2' ' NE2' ' A' ' 20' ' ' GLN . 4.2 ttpm? -93.9 132.0 38.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.9 m -141.01 169.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 98.0 m95 -98.22 132.8 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' A' ' 87' ' ' MET . 17.8 m -131.75 163.07 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' NZ ' HG21 ' A' ' 89' ' ' VAL . 15.9 ttpt -135.3 133.49 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.96 HD21 ' HB3' ' A' ' 74' ' ' ARG . 12.3 tp -68.76 129.78 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.49 -24.81 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.2 110.9 0.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.96 ' HB3' HD21 ' A' ' 71' ' ' LEU . 11.1 ptm180 -106.37 127.08 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -137.6 123.95 20.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -117.06 115.13 24.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -115.59 143.89 44.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -59.86 -13.98 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -97.05 -29.08 13.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 2.0 ptm85 -175.19 157.03 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.8 mt -109.28 132.44 57.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.8 123.18 40.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 71' ' ' LEU . 54.8 t -121.18 132.48 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.22 126.39 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' A' ' 44' ' ' VAL . 31.8 mt -125.72 153.96 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -131.53 153.81 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.721 ' HG3' HG12 ' A' ' 69' ' ' VAL . 50.5 mtp -122.12 -29.72 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -67.79 -8.03 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.566 HG21 ' NZ ' ' A' ' 70' ' ' LYS . 18.8 m -115.13 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' TRP . 20.8 t -146.51 135.1 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.3 125.81 26.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -88.99 44.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.34 -36.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.426 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.2 p -116.32 -32.65 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.17 26.1 24.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -95.18 135.36 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.676 0.274 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -57.05 128.66 38.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.8 -21.57 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 14.2 p-10 -120.03 76.49 22.74 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.808 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.28 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -105.94 -31.98 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 60.87 52.33 4.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -106.07 -23.25 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.74 -55.52 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.577 ' C ' HD12 ' A' ' 105' ' ' ILE . 1.7 pp -46.62 -26.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.75 84.66 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.5 p -114.25 132.84 56.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.64 83.97 0.35 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 133.11 24.92 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.745 2.297 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 92.0 p -108.81 164.47 12.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 m -53.36 178.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 27.1 m -75.72 -61.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 69.5 m -80.08 85.54 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -71.06 153.22 50.96 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 t -81.39 95.73 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.5 m -76.62 -45.81 28.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 82.62 97.96 0.5 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -144.07 143.59 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -143.08 175.68 9.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -149.99 129.4 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.69 -106.47 1.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -173.14 135.79 0.71 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.737 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 165.6 30.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.214 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.51 64.05 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.6 p -61.31 146.66 47.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.8 ptm -90.82 -31.02 16.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' LEU . 17.4 tp10 -122.93 157.42 32.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 90.0 m-20 -38.49 -26.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' GLU . 68.5 mt -40.4 150.02 0.29 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.732 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -169.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.16 179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD23 ' A' ' 71' ' ' LEU . 15.9 tp -66.49 149.13 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 50.7 24.94 1.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.4 m -85.2 139.64 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -105.54 131.22 55.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -150.23 167.98 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 17.6 tt0 -106.74 126.11 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.39 161.03 25.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.43 143.33 33.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.4 t -65.81 133.68 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 16.2 ttt -145.58 139.36 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -121.41 124.23 71.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -131.01 155.16 47.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.5 -6.52 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.2 6.36 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.44 -170.43 29.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.14 149.18 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 43' ' ' LEU . 2.4 m-85 -97.35 136.74 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 23' ' ' VAL . 9.5 mm -120.87 131.7 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 29.5 mtpt -82.74 134.07 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.572 HG23 ' HD2' ' A' ' 36' ' ' PRO . 45.2 mt -91.83 136.29 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 111.194 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.2 Cg_endo -69.72 147.46 63.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.14 13.44 20.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.4 m -130.49 179.34 5.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -116.59 -48.97 2.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -65.98 152.78 43.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 52.1 mt-30 -118.49 156.11 29.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.71 143.64 17.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' A' ' 32' ' ' PHE . 10.1 tp -97.24 139.28 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.0 t -112.14 116.21 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -57.26 147.47 25.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.99 -35.31 73.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 t -70.62 -21.66 62.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -91.08 -15.66 29.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 32.2 mtp -66.74 -46.89 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.706 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.7 m -106.4 172.0 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.6 t -62.91 -68.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.5 m -124.64 -69.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -79.77 133.25 36.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 50' ' ' SER . 3.1 t -126.13 91.89 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -62.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -148.8 121.46 4.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -24.02 29.88 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.4 p -75.52 -4.18 38.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -110.4 -9.96 14.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -89.49 -38.07 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.19 163.16 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.63 140.2 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.34 120.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.21 -16.13 27.49 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.1 131.04 34.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.379 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 31.2 ttmt -98.57 131.96 44.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG21 ' CE ' ' A' ' 87' ' ' MET . 35.8 m -141.02 169.1 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.3 m95 -97.26 132.18 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.35 161.14 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 89' ' ' VAL . 17.3 ttpt -135.91 126.68 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 15' ' ' LEU . 15.9 tp -60.87 130.33 45.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.594 HG22 HG21 ' A' ' 105' ' ' ILE . 9.4 pt -109.57 -30.62 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 139.82 6.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.903 ' CG ' HD21 ' A' ' 71' ' ' LEU . 44.1 mtp180 -112.89 123.77 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -135.19 123.79 23.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.8 138.63 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -118.04 150.38 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -59.08 -13.66 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.02 -29.21 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -176.15 157.06 1.76 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.5 mt -96.67 134.28 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 129.04 52.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 71' ' ' LEU . 63.6 t -118.73 130.57 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.2 m -97.19 129.78 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 44' ' ' VAL . 72.4 mt -125.81 153.28 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.656 ' HB3' HG22 ' A' ' 89' ' ' VAL . 33.4 m -122.21 153.73 38.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 67' ' ' VAL . 91.1 mtp -126.22 -27.69 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -77.27 -7.17 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.656 HG22 ' HB3' ' A' ' 86' ' ' SER . 29.7 m -109.18 19.76 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 68' ' ' TRP . 21.6 t -143.16 143.99 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -76.26 123.53 26.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -86.54 38.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.53 -34.06 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.6 p -125.74 -26.82 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.127 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.97 28.69 27.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.2 137.03 32.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.725 0.297 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 23.5 t0 -57.66 120.71 8.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.22 -13.9 27.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 16.4 p-10 -127.89 75.99 77.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.817 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.52 -35.56 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 58.48 52.9 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 -17.11 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.9 mp -82.9 -48.86 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.594 HG21 HG22 ' A' ' 72' ' ' ILE . 2.2 pp -49.55 -26.53 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 107' ' ' SER . 35.6 tt0 -75.39 -51.0 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLU . 3.1 t 34.76 48.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 43.46 -156.54 0.15 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.554 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 150.46 68.44 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.391 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 t -70.86 -54.93 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -50.43 101.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.451 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' -4' ' ' SER . 1.1 t -131.62 174.74 9.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.385 . . . . 0.0 110.809 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' -5' ' ' SER . 60.5 p 37.33 41.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -78.79 -161.87 20.95 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.429 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.4 m -92.03 160.81 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.791 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.9 m -97.92 125.47 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.768 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 1' ' ' MET . . . -109.55 -143.54 10.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 0' ' ' GLY . 4.0 ptt? 35.7 49.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -63.67 119.83 10.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -174.24 166.44 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' C ' ' HD3' ' A' ' 5' ' ' ARG . . . 82.35 117.42 0.51 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.535 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.55 HH11 ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -121.62 137.95 27.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.856 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 177.05 6.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.4 60.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 p -124.21 179.36 4.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.39 88.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' THR . 35.3 tt0 -61.92 -33.67 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -52.96 -56.89 12.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -78.91 156.47 77.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.1 Cg_endo -69.75 -178.84 2.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.24 173.55 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 71' ' ' LEU . 24.2 tp -62.86 148.16 47.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 52.46 26.56 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.0 m -90.67 137.99 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.9 mt -102.14 136.78 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.693 ' CE1' ' CG2' ' A' ' 69' ' ' VAL . 12.8 p90 -155.94 170.32 22.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 14.9 tt0 -107.21 125.89 51.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.54 164.02 24.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -110.78 134.31 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 33' ' ' ILE . 45.7 t -64.1 128.04 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.73 -21.86 11.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.503 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 24.5 ttt -147.88 140.86 24.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 61.1 t -123.98 124.46 69.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.4 p -127.77 161.94 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER -72.88 -1.44 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -121.29 7.59 10.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.67 -166.06 29.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.5 148.69 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 25' ' ' MET . 13.9 m-85 -93.95 136.41 34.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.495 ' CD1' HG22 ' A' ' 23' ' ' VAL . 16.9 mm -123.09 136.13 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 41' ' ' GLN . 74.3 mttt -94.49 121.07 35.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 HG23 ' HD2' ' A' ' 36' ' ' PRO . 57.8 mt -82.25 137.88 45.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.634 0.73 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 35' ' ' ILE . 53.8 Cg_endo -69.7 120.13 6.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.83 41.65 22.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 p -128.42 -175.5 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -119.8 -32.89 4.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -116.41 160.7 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CD ' ' HE2' ' A' ' 34' ' ' LYS . 17.4 mt-30 -107.61 156.02 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.96 158.14 14.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 tp -110.55 141.47 43.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 85' ' ' LEU . 66.4 t -114.87 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -51.73 150.78 3.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.68 -31.86 71.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.8 p -63.38 -34.4 77.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HE1' HG22 ' A' ' 105' ' ' ILE . 96.2 m-70 -88.0 -11.44 47.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 mtp -73.57 -23.8 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.595 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.3 t -133.49 167.59 20.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -58.92 -67.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.4 m -133.39 -69.46 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.72 128.98 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG22 ' HB3' ' A' ' 50' ' ' SER . 11.5 t -121.61 95.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.58 -41.71 60.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -162.66 105.0 1.06 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.552 ' HA ' HD12 ' A' ' 60' ' ' ILE . 53.8 Cg_endo -69.71 -13.84 35.39 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.403 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 27.3 m -78.85 -24.58 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -91.2 -6.34 53.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 57' ' ' PRO . 49.9 mt -83.36 -35.29 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.52 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.81 135.5 12.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.9 t -39.15 122.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.53 -17.52 25.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.67 129.29 34.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 6.6 ttpm? -89.6 132.04 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.4 m -141.06 169.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 97.0 m95 -103.65 130.5 51.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.762 HG12 ' CG ' ' A' ' 87' ' ' MET . 28.6 m -129.7 157.09 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 89' ' ' VAL . 19.0 ttpt -130.44 126.2 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 15' ' ' LEU . 17.7 tp -59.29 138.15 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 84' ' ' SER . 6.7 pt -117.28 -32.55 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.24 137.04 4.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.833 ' CG ' HD21 ' A' ' 71' ' ' LEU . 72.2 mtp180 -109.42 123.05 48.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -129.09 124.3 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.52 113.89 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -103.63 148.98 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.34 -13.86 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -97.74 -30.68 12.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -176.25 156.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.8 121.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.53 129.27 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -122.88 118.57 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.642 ' HB3' HD11 ' A' ' 72' ' ' ILE . 17.9 m -97.02 127.2 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.885 ' HB2' HG22 ' A' ' 44' ' ' VAL . 23.9 mt -124.02 159.68 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 72' ' ' ILE . 16.5 t -127.67 145.32 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.762 ' CG ' HG12 ' A' ' 69' ' ' VAL . 86.7 mtp -123.89 -31.38 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -65.24 -11.28 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 70' ' ' LYS . 15.5 m -111.57 24.93 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 86.8 t -153.32 127.0 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -59.01 157.78 9.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 90' ' ' VAL . 70.9 mm-40 -109.75 -21.39 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.63 -23.0 48.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 p -129.43 -29.9 2.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.739 0.304 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 68' ' ' TRP . . . 81.83 23.85 56.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -87.47 159.03 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.99 130.96 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.68 -21.85 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.441 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.8 t70 -132.99 75.93 71.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.16 17.96 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.665 2.244 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 68.8 m-80 -78.34 -47.23 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 101' ' ' ASN . 1.9 m-80 73.29 42.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -107.08 -17.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.441 HD13 ' CG ' ' A' ' 99' ' ' ASP . 4.0 mp -76.67 -61.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.3 pp -45.0 -28.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.9 tp10 -67.21 -54.3 22.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.3 p -90.9 157.39 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -115.17 -178.8 18.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 141.93 46.52 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.667 2.244 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 t -115.92 110.84 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -63.31 168.82 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 61.9 p -42.77 124.22 2.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 21.5 t -98.54 105.05 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -43.22 118.58 2.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 46.1 m -104.18 173.84 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 44.4 p -116.36 161.72 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 142.52 64.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.5 mtm -126.54 162.08 26.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -143.75 149.91 37.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -146.69 142.4 27.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 132.75 1.56 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -90.11 138.63 27.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 117.43 5.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.628 2.219 . . . . 0.0 112.412 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -90.23 128.29 36.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -110.33 -41.75 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -38.63 -58.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.35 92.18 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -89.29 15.22 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' A' ' 40' ' ' LYS . 32.1 mt -52.38 153.71 4.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.563 0.696 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 53.4 Cg_endo -69.76 -175.45 1.16 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.81 174.94 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD23 ' A' ' 71' ' ' LEU . 13.8 tp -66.04 145.66 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 60.63 26.0 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.9 m -90.28 139.18 30.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -105.68 130.49 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 35' ' ' ILE . 19.6 p90 -151.29 162.74 40.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . 18.5 tt0 -100.15 128.6 46.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.6 157.15 23.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.545 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -100.24 145.54 27.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -72.63 125.26 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.72 -24.86 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 ttt -148.09 138.16 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 58' ' ' SER . 58.9 t -121.03 123.97 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.7 p -126.19 160.36 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.52 1.65 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -124.94 5.51 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.1 -170.38 32.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.91 146.94 31.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.815 0.34 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CE1' HD13 ' A' ' 43' ' ' LEU . 10.1 m-85 -93.14 134.23 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 69' ' ' VAL . 16.3 mm -120.46 128.5 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -82.78 123.6 29.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 19' ' ' PHE . 58.8 mt -82.95 130.65 56.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.94 41.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.17 -17.98 8.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.533 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 12' ' ' LEU . 1.9 t -115.68 168.67 9.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 mtm105 -103.94 -36.01 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 12' ' ' LEU . 5.5 mmtp -66.48 142.81 57.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -113.11 164.26 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.41 151.13 17.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 32' ' ' PHE . 24.6 tp -103.17 134.57 46.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 ' HB2' ' A' ' 85' ' ' LEU . 48.7 t -104.09 111.45 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -55.16 147.79 15.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' HB2' HG11 ' A' ' 54' ' ' VAL . 2.7 ptm180 -59.31 -33.25 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -68.23 -32.8 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' HE1' HG22 ' A' ' 105' ' ' ILE . 65.9 m-70 -85.09 -19.92 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 mtp -62.08 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -126.06 164.26 21.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 m -49.91 -69.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -134.58 -66.18 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -67.7 127.42 32.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 46' ' ' ARG . 4.6 t -121.07 82.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -70.83 -54.24 12.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 36.8 mtmt -149.13 104.93 3.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 53.8 Cg_endo -69.71 -18.05 37.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.4 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 11.3 t -82.47 -9.85 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -99.39 -14.72 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -78.94 -30.82 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.6 m -143.48 175.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -161.68 141.28 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.6 t -41.87 120.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.48 -23.83 11.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -82.33 128.26 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 20' ' ' GLN . 26.8 tttt -94.45 133.11 38.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG21 ' HE3' ' A' ' 87' ' ' MET . 18.3 m -141.18 170.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 20' ' ' GLN . 93.9 m95 -101.22 133.27 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG12 ' CG ' ' A' ' 87' ' ' MET . 19.9 m -131.82 159.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -127.52 134.76 49.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.849 HD21 ' HB3' ' A' ' 74' ' ' ARG . 10.1 tp -68.84 133.74 48.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 pt -118.4 -24.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -161.49 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.849 ' HB3' HD21 ' A' ' 71' ' ' LEU . 18.0 ptt180 -119.76 125.56 48.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -142.28 123.94 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -116.92 114.12 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -116.7 146.46 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -59.47 -13.93 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.35 -31.94 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -175.61 157.07 2.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 ' HE2' ' A' ' 40' ' ' LYS . 86.2 mt -112.25 132.13 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -120.64 128.93 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.89 127.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -117.04 128.45 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' HB2' HG22 ' A' ' 44' ' ' VAL . 59.2 mt -122.83 158.65 29.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -131.22 148.23 52.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.669 ' CG ' HG12 ' A' ' 69' ' ' VAL . 58.9 mtp -120.9 -27.97 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HG3' HG13 ' A' ' 89' ' ' VAL . 7.7 pttp -63.69 -26.03 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG13 ' HG3' ' A' ' 88' ' ' LYS . 30.7 m -96.97 11.26 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 t -134.6 142.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -84.04 130.24 34.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.803 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -88.81 51.06 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.7 -38.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.1 p -120.38 -22.4 6.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 29.35 50.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.23 144.57 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 109.19 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.85 -37.4 55.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 89' ' ' VAL . 7.8 m-20 -117.82 75.81 10.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.577 0.703 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 53.5 Cg_endo -69.68 -11.28 30.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -70.99 -34.37 71.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 100' ' ' PRO . 4.8 m-80 56.16 38.46 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.87 -21.73 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -75.78 -48.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.505 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -54.45 -23.22 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.14 120.18 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.3 p -93.54 108.66 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.9 -157.65 11.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -17.69 37.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.4 t -88.56 84.94 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' GLY . 5.2 m -89.64 162.22 15.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.447 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.7 t -66.37 86.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.3 t -130.77 153.25 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.36 136.06 4.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 13.7 t -158.78 108.73 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -61.09 98.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 93.95 147.84 22.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -142.96 133.16 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -151.18 -179.24 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -129.6 -45.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.77 52.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -104.66 143.33 26.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 167.04 25.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -133.97 145.4 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 t -109.26 -7.94 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.6 tpp -126.19 106.49 9.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -114.82 10.72 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -43.45 -53.8 5.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 40' ' ' LYS . 21.2 mt -60.02 156.15 39.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.649 0.737 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.483 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 54.6 Cg_endo -69.74 -177.61 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.392 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.13 173.07 8.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.879 ' HA ' HD23 ' A' ' 71' ' ' LEU . 20.4 tp -67.1 142.62 57.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 64.41 26.72 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -88.38 136.04 33.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 75.0 mt -103.68 127.79 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HG3' ' A' ' 13' ' ' PRO . 9.5 p90 -151.13 159.16 44.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 13.3 tt0 -94.93 123.59 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.57 163.99 22.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -111.45 141.38 45.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.59 131.98 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . . . -119.5 -22.19 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 ttt -147.99 139.28 23.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -122.51 124.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -129.93 160.94 32.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -71.31 -2.93 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -120.05 10.77 11.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.21 -173.42 24.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.41 151.26 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 43' ' ' LEU . 6.5 m-85 -92.97 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.6 mm -118.22 123.18 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 24' ' ' ALA . 37.7 mttt -74.97 133.2 41.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 40' ' ' LYS . 63.1 mt -90.01 131.93 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.41 16.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.41 -37.5 2.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 99.7 m -78.02 -178.52 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -115.08 -46.87 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HB3' HD21 ' A' ' 12' ' ' LEU . 14.7 tppt? -73.64 152.9 40.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mp0 -116.27 166.92 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.997 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -122.15 154.47 16.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 32' ' ' PHE . 11.1 tp -102.36 137.78 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 85' ' ' LEU . 73.0 t -111.23 102.49 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.89 153.15 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 47' ' ' THR . 11.4 ptt180 -59.4 -32.26 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 13.4 p -64.5 -29.38 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -90.92 -31.93 16.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 mtp -44.21 -32.45 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 t -157.48 146.91 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -63.05 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -53.81 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmt-85 -60.45 169.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 100.0 t -144.09 133.62 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -118.55 -36.17 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 mtmt -148.97 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 53.7 Cg_endo -69.78 -19.15 36.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 0.0 112.316 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.1 p -74.09 -3.61 30.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -108.41 -5.35 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 57' ' ' PRO . 3.8 mt -93.99 -47.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -126.37 169.87 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' VAL . 2.3 m-20 -157.81 136.12 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' ASP . 99.5 t -37.43 119.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.86 -27.57 7.43 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.549 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -79.09 127.19 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 20' ' ' GLN . 15.1 ttpp -100.2 132.43 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG21 ' CE ' ' A' ' 87' ' ' MET . 19.3 m -141.21 170.05 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 20' ' ' GLN . 98.4 m95 -92.29 141.3 28.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 87' ' ' MET . 2.8 m -138.02 162.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' CE ' HG21 ' A' ' 89' ' ' VAL . 9.3 ttpp -134.92 125.29 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 74' ' ' ARG . 9.2 tp -60.14 129.76 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 105' ' ' ILE . 6.1 pt -113.9 -26.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.48 108.79 0.35 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.897 ' HB3' HD21 ' A' ' 71' ' ' LEU . 10.4 ptt85 -117.46 136.19 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -147.11 123.91 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 ttt -116.29 114.13 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -116.33 143.56 45.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -59.0 -13.64 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 10.6 t70 -101.98 -28.85 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 12.8 mtp180 -167.44 157.1 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.7 mt -125.31 130.87 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 129.04 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.5 t -131.32 127.86 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -120.66 132.35 55.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 71' ' ' LEU . 29.5 mt -123.82 159.01 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.513 ' OG ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -121.68 152.06 39.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' HG21 ' A' ' 67' ' ' VAL . 80.5 mtp -124.04 -23.87 4.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -79.02 -21.25 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 70' ' ' LYS . 16.3 m -99.64 28.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.4 t -150.74 128.87 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -61.04 136.99 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 87' ' ' MET . 35.7 mm-40 -100.99 48.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.03 -40.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.3 p -117.87 -25.28 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.85 30.84 30.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -91.36 134.44 34.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.17 130.03 44.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.7 mt -101.58 -26.17 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.425 ' CG ' ' HB ' ' A' ' 89' ' ' VAL . 28.0 p-10 -120.07 76.41 22.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.814 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.733 2.288 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -102.86 -38.51 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 68.93 50.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.5 t -105.25 -32.45 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.611 HD12 ' H ' ' A' ' 104' ' ' ILE . 5.3 mp -65.45 -51.94 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.56 ' C ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -52.2 -23.83 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.7 tt0 -84.08 -58.11 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -41.11 110.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.6 79.73 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 164.64 33.7 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.2 m -108.37 125.4 51.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -52.99 148.22 8.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.432 -179.983 . . . . . . . . 0 0 . 1 stop_ save_